-- -- PostgreSQL DDL generated from schema/mmcif_nmr-star.xsd using xsd2pgschema -- xsd2pgschema - Database replication tool based on XML Schema -- https://sourceforge.net/projects/xsd2pgschema/ -- -- Schema modeling options: -- explicit named schema: false -- relational extension: false -- inline simple content: true -- realize simple bridge: false -- wild card extension: true -- case sensitive name: true -- no name collision: true -- append document key: true (in-place) -- append serial key: false -- append xpath key: false -- retain constraint: false -- retrieve field annotation: false -- map integer numbers to: signed int 32 bits -- map decimal numbers to: big decimal -- map xsd date type to: sql date type -- -- Statistics of schema: -- Generated 456 tables (5839 fields), 0 views (0 fields), 0 attr groups, 0 model groups in total -- Namespaces: -- http://www.w3.org/2001/XMLSchema (xsd), http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx) -- Schema locations: -- schema/mmcif_nmr-star.xsd -- Table types: -- 0 root, 0 root children, 0 admin roots, 456 admin children -- System keys: -- 0 primary keys (0 unique constraints), 0 foreign keys, 0 nested keys (0 as attribute, 0 as attribute group) -- User keys: -- 0 document keys, 0 serial keys, 0 xpath keys -- Contents: -- 1316 attributes (454 in-place document keys), 4523 elements (2 in-place document keys), 0 simple contents (0 in-place document keys, 0 as attribute, 0 as conditional attribute) -- Wild cards: -- 0 any elements, 0 any attributes -- Constraints: -- 456 unique constraints from xsd:key, 0 unique constraints from xsd:unique, 312 foreign key constraints from xsd:keyref -- -- -- BMRB/XML Schema v3.2.1.18 -- BMRB/XML Schema translated from extended version of NMR-STAR Dictionary v3.2.1.18, which is backward compatible with the original NMR-STAR Dictionary: http://svn.bmrb.wisc.edu/svn/nmr-star-dictionary/bmrb_only_files/adit_input/NMR-STAR.dic -- URI-reference = http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.dic -- DROP TABLE IF EXISTS ambiguous_atom_chem_shift CASCADE; DROP TABLE IF EXISTS angle CASCADE; DROP TABLE IF EXISTS angular_order_param CASCADE; DROP TABLE IF EXISTS angular_order_parameter_list CASCADE; DROP TABLE IF EXISTS assembly CASCADE; DROP TABLE IF EXISTS assembly_annotation_list CASCADE; DROP TABLE IF EXISTS assembly_bio_function CASCADE; DROP TABLE IF EXISTS assembly_citation CASCADE; DROP TABLE IF EXISTS assembly_common_name CASCADE; DROP TABLE IF EXISTS assembly_db_link CASCADE; DROP TABLE IF EXISTS assembly_interaction CASCADE; DROP TABLE IF EXISTS assembly_keyword CASCADE; DROP TABLE IF EXISTS assembly_segment CASCADE; DROP TABLE IF EXISTS assembly_segment_description CASCADE; DROP TABLE IF EXISTS assembly_subsystem CASCADE; DROP TABLE IF EXISTS assembly_systematic_name CASCADE; DROP TABLE IF EXISTS assembly_type CASCADE; DROP TABLE IF EXISTS assigned_chem_shift_list CASCADE; DROP TABLE IF EXISTS assigned_peak_chem_shift CASCADE; DROP TABLE IF EXISTS assigned_spectral_transition CASCADE; DROP TABLE IF EXISTS atom CASCADE; DROP TABLE IF EXISTS atom_chem_shift CASCADE; DROP TABLE IF EXISTS atom_nomenclature CASCADE; DROP TABLE IF EXISTS atom_site CASCADE; DROP TABLE IF EXISTS atom_sites_footnote CASCADE; DROP TABLE IF EXISTS atom_type CASCADE; DROP TABLE IF EXISTS author_annotation CASCADE; DROP TABLE IF EXISTS auto_relaxation CASCADE; DROP TABLE IF EXISTS auto_relaxation_experiment CASCADE; DROP TABLE IF EXISTS auto_relaxation_list CASCADE; DROP TABLE IF EXISTS auto_relaxation_software CASCADE; DROP TABLE IF EXISTS auxiliary_files CASCADE; DROP TABLE IF EXISTS binding_experiment CASCADE; DROP TABLE IF EXISTS binding_param CASCADE; DROP TABLE IF EXISTS binding_param_list CASCADE; DROP TABLE IF EXISTS binding_partners CASCADE; DROP TABLE IF EXISTS binding_result CASCADE; DROP TABLE IF EXISTS binding_software CASCADE; DROP TABLE IF EXISTS binding_value_list CASCADE; DROP TABLE IF EXISTS bond CASCADE; DROP TABLE IF EXISTS bond_annotation CASCADE; DROP TABLE IF EXISTS bond_annotation_list CASCADE; DROP TABLE IF EXISTS bond_observed_conformer CASCADE; DROP TABLE IF EXISTS ca_cb_constraint CASCADE; DROP TABLE IF EXISTS ca_cb_constraint_expt CASCADE; DROP TABLE IF EXISTS ca_cb_constraint_list CASCADE; DROP TABLE IF EXISTS ca_cb_constraint_software CASCADE; DROP TABLE IF EXISTS characteristic CASCADE; DROP TABLE IF EXISTS chem_comp CASCADE; DROP TABLE IF EXISTS chem_comp_angle CASCADE; DROP TABLE IF EXISTS chem_comp_assembly CASCADE; DROP TABLE IF EXISTS chem_comp_atom CASCADE; DROP TABLE IF EXISTS chem_comp_bio_function CASCADE; DROP TABLE IF EXISTS chem_comp_bond CASCADE; DROP TABLE IF EXISTS chem_comp_citation CASCADE; DROP TABLE IF EXISTS chem_comp_common_name CASCADE; DROP TABLE IF EXISTS chem_comp_db_link CASCADE; DROP TABLE IF EXISTS chem_comp_descriptor CASCADE; DROP TABLE IF EXISTS chem_comp_identifier CASCADE; DROP TABLE IF EXISTS chem_comp_keyword CASCADE; DROP TABLE IF EXISTS chem_comp_smiles CASCADE; DROP TABLE IF EXISTS chem_comp_systematic_name CASCADE; DROP TABLE IF EXISTS chem_comp_tor CASCADE; DROP TABLE IF EXISTS chem_shift_anisotropy CASCADE; DROP TABLE IF EXISTS chem_shift_completeness_char CASCADE; DROP TABLE IF EXISTS chem_shift_completeness_list CASCADE; DROP TABLE IF EXISTS chem_shift_experiment CASCADE; DROP TABLE IF EXISTS chem_shift_isotope_effect_list CASCADE; DROP TABLE IF EXISTS chem_shift_perturbation CASCADE; DROP TABLE IF EXISTS chem_shift_perturbation_experiment CASCADE; DROP TABLE IF EXISTS chem_shift_perturbation_list CASCADE; DROP TABLE IF EXISTS chem_shift_perturbation_software CASCADE; DROP TABLE IF EXISTS chem_shift_ref CASCADE; DROP TABLE IF EXISTS chem_shift_reference CASCADE; DROP TABLE IF EXISTS chem_shift_software CASCADE; DROP TABLE IF EXISTS chem_shifts_calc_software CASCADE; DROP TABLE IF EXISTS chem_shifts_calc_type CASCADE; DROP TABLE IF EXISTS chem_struct_descriptor CASCADE; DROP TABLE IF EXISTS chemical_rate CASCADE; DROP TABLE IF EXISTS chemical_rate_experiment CASCADE; DROP TABLE IF EXISTS chemical_rate_list CASCADE; DROP TABLE IF EXISTS chemical_rate_software CASCADE; DROP TABLE IF EXISTS chromatographic_column CASCADE; DROP TABLE IF EXISTS chromatographic_system CASCADE; DROP TABLE IF EXISTS citation CASCADE; DROP TABLE IF EXISTS citation_author CASCADE; DROP TABLE IF EXISTS citation_editor CASCADE; DROP TABLE IF EXISTS citation_keyword CASCADE; DROP TABLE IF EXISTS computer CASCADE; DROP TABLE IF EXISTS computer_citation CASCADE; DROP TABLE IF EXISTS conf_family_coord_set_constr_list CASCADE; DROP TABLE IF EXISTS conf_stats_software CASCADE; DROP TABLE IF EXISTS conformer_family_coord_set CASCADE; DROP TABLE IF EXISTS conformer_family_coord_set_expt CASCADE; DROP TABLE IF EXISTS conformer_family_refinement CASCADE; DROP TABLE IF EXISTS conformer_family_software CASCADE; DROP TABLE IF EXISTS conformer_stat_list CASCADE; DROP TABLE IF EXISTS conformer_stat_list_ens CASCADE; DROP TABLE IF EXISTS conformer_stat_list_rep CASCADE; DROP TABLE IF EXISTS constraint_file CASCADE; DROP TABLE IF EXISTS constraint_stat_list CASCADE; DROP TABLE IF EXISTS constraint_stat_list_ens CASCADE; DROP TABLE IF EXISTS constraint_stat_list_rep CASCADE; DROP TABLE IF EXISTS constraint_stats_constr_list CASCADE; DROP TABLE IF EXISTS coupling_constant CASCADE; DROP TABLE IF EXISTS coupling_constant_experiment CASCADE; DROP TABLE IF EXISTS coupling_constant_list CASCADE; DROP TABLE IF EXISTS coupling_constant_software CASCADE; DROP TABLE IF EXISTS cross_correlation_d_csa CASCADE; DROP TABLE IF EXISTS cross_correlation_d_csa_experiment CASCADE; DROP TABLE IF EXISTS cross_correlation_d_csa_list CASCADE; DROP TABLE IF EXISTS cross_correlation_d_csa_software CASCADE; DROP TABLE IF EXISTS cross_correlation_dd CASCADE; DROP TABLE IF EXISTS cross_correlation_dd_experiment CASCADE; DROP TABLE IF EXISTS cross_correlation_dd_list CASCADE; DROP TABLE IF EXISTS cross_correlation_dd_software CASCADE; DROP TABLE IF EXISTS cs_anisotropy CASCADE; DROP TABLE IF EXISTS cs_anisotropy_experiment CASCADE; DROP TABLE IF EXISTS cs_anisotropy_software CASCADE; DROP TABLE IF EXISTS d_h_fract_factor_experiment CASCADE; DROP TABLE IF EXISTS d_h_fract_factor_software CASCADE; DROP TABLE IF EXISTS d_h_fractionation_factor CASCADE; DROP TABLE IF EXISTS d_h_fractionation_factor_list CASCADE; DROP TABLE IF EXISTS data_set CASCADE; DROP TABLE IF EXISTS datum CASCADE; DROP TABLE IF EXISTS decoupling_pulse_sequence CASCADE; DROP TABLE IF EXISTS deduced_h_bond CASCADE; DROP TABLE IF EXISTS deduced_h_bond_experiment CASCADE; DROP TABLE IF EXISTS deduced_h_bond_list CASCADE; DROP TABLE IF EXISTS deduced_h_bond_software CASCADE; DROP TABLE IF EXISTS deduced_secd_struct_experiment CASCADE; DROP TABLE IF EXISTS deduced_secd_struct_exptl CASCADE; DROP TABLE IF EXISTS deduced_secd_struct_feature CASCADE; DROP TABLE IF EXISTS deduced_secd_struct_list CASCADE; DROP TABLE IF EXISTS deduced_secd_struct_software CASCADE; DROP TABLE IF EXISTS dipolar_coupling CASCADE; DROP TABLE IF EXISTS dipolar_coupling_experiment CASCADE; DROP TABLE IF EXISTS dipolar_coupling_list CASCADE; DROP TABLE IF EXISTS dipolar_coupling_software CASCADE; DROP TABLE IF EXISTS dipole_dipole_relax CASCADE; DROP TABLE IF EXISTS dipole_dipole_relax_experiment CASCADE; DROP TABLE IF EXISTS dipole_dipole_relax_list CASCADE; DROP TABLE IF EXISTS dipole_dipole_relax_software CASCADE; DROP TABLE IF EXISTS dist_constr_software_setting CASCADE; DROP TABLE IF EXISTS dist_constraint CASCADE; DROP TABLE IF EXISTS dist_constraint_comment_org CASCADE; DROP TABLE IF EXISTS dist_constraint_conv_err CASCADE; DROP TABLE IF EXISTS dist_constraint_parse_err CASCADE; DROP TABLE IF EXISTS dist_constraint_parse_file CASCADE; DROP TABLE IF EXISTS dist_constraint_tree CASCADE; DROP TABLE IF EXISTS dist_constraint_value CASCADE; DROP TABLE IF EXISTS distance_constraint_expt CASCADE; DROP TABLE IF EXISTS distance_constraint_list CASCADE; DROP TABLE IF EXISTS distance_constraint_software CASCADE; DROP TABLE IF EXISTS emr_expt CASCADE; DROP TABLE IF EXISTS emr_instrument CASCADE; DROP TABLE IF EXISTS energetic_penalty_function CASCADE; DROP TABLE IF EXISTS entity CASCADE; DROP TABLE IF EXISTS entity_assembly CASCADE; DROP TABLE IF EXISTS entity_atom_list CASCADE; DROP TABLE IF EXISTS entity_biological_function CASCADE; DROP TABLE IF EXISTS entity_bond CASCADE; DROP TABLE IF EXISTS entity_chem_comp_deleted_atom CASCADE; DROP TABLE IF EXISTS entity_chimera_segment CASCADE; DROP TABLE IF EXISTS entity_citation CASCADE; DROP TABLE IF EXISTS entity_common_name CASCADE; DROP TABLE IF EXISTS entity_comp_index CASCADE; DROP TABLE IF EXISTS entity_comp_index_alt CASCADE; DROP TABLE IF EXISTS entity_db_link CASCADE; DROP TABLE IF EXISTS entity_deleted_atom CASCADE; DROP TABLE IF EXISTS entity_experimental_src CASCADE; DROP TABLE IF EXISTS entity_experimental_src_list CASCADE; DROP TABLE IF EXISTS entity_keyword CASCADE; DROP TABLE IF EXISTS entity_natural_src CASCADE; DROP TABLE IF EXISTS entity_natural_src_list CASCADE; DROP TABLE IF EXISTS entity_poly_seq CASCADE; DROP TABLE IF EXISTS entity_purity CASCADE; DROP TABLE IF EXISTS entity_purity_citation CASCADE; DROP TABLE IF EXISTS entity_purity_list CASCADE; DROP TABLE IF EXISTS entity_systematic_name CASCADE; DROP TABLE IF EXISTS entry_author CASCADE; DROP TABLE IF EXISTS entry_experimental_methods CASCADE; DROP TABLE IF EXISTS entry_src CASCADE; DROP TABLE IF EXISTS experiment CASCADE; DROP TABLE IF EXISTS experiment_file CASCADE; DROP TABLE IF EXISTS experiment_list CASCADE; DROP TABLE IF EXISTS floating_chirality CASCADE; DROP TABLE IF EXISTS floating_chirality_assign CASCADE; DROP TABLE IF EXISTS floating_chirality_software CASCADE; DROP TABLE IF EXISTS fluorescence_instrument CASCADE; DROP TABLE IF EXISTS force_constant CASCADE; DROP TABLE IF EXISTS force_constant_list CASCADE; DROP TABLE IF EXISTS force_constant_software CASCADE; DROP TABLE IF EXISTS fret_expt CASCADE; DROP TABLE IF EXISTS gen_dist_constraint CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_comment_org CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_conv_err CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_expt CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_list CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_parse_err CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_parse_file CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_software CASCADE; DROP TABLE IF EXISTS gen_dist_constraint_software_param CASCADE; DROP TABLE IF EXISTS h_chem_shift_constraint CASCADE; DROP TABLE IF EXISTS h_chem_shift_constraint_expt CASCADE; DROP TABLE IF EXISTS h_chem_shift_constraint_list CASCADE; DROP TABLE IF EXISTS h_chem_shift_constraint_software CASCADE; DROP TABLE IF EXISTS h_exch_protection_fact_experiment CASCADE; DROP TABLE IF EXISTS h_exch_protection_fact_software CASCADE; DROP TABLE IF EXISTS h_exch_protection_factor CASCADE; DROP TABLE IF EXISTS h_exch_protection_factor_list CASCADE; DROP TABLE IF EXISTS h_exch_rate CASCADE; DROP TABLE IF EXISTS h_exch_rate_experiment CASCADE; DROP TABLE IF EXISTS h_exch_rate_list CASCADE; DROP TABLE IF EXISTS h_exch_rate_software CASCADE; DROP TABLE IF EXISTS heteronucl_noe CASCADE; DROP TABLE IF EXISTS heteronucl_noe_experiment CASCADE; DROP TABLE IF EXISTS heteronucl_noe_list CASCADE; DROP TABLE IF EXISTS heteronucl_noe_software CASCADE; DROP TABLE IF EXISTS heteronucl_t1_experiment CASCADE; DROP TABLE IF EXISTS heteronucl_t1_list CASCADE; DROP TABLE IF EXISTS heteronucl_t1_software CASCADE; DROP TABLE IF EXISTS heteronucl_t1rho_experiment CASCADE; DROP TABLE IF EXISTS heteronucl_t1rho_list CASCADE; DROP TABLE IF EXISTS heteronucl_t1rho_software CASCADE; DROP TABLE IF EXISTS heteronucl_t2_experiment CASCADE; DROP TABLE IF EXISTS heteronucl_t2_list CASCADE; DROP TABLE IF EXISTS heteronucl_t2_software CASCADE; DROP TABLE IF EXISTS history CASCADE; DROP TABLE IF EXISTS homonucl_noe CASCADE; DROP TABLE IF EXISTS homonucl_noe_experiment CASCADE; DROP TABLE IF EXISTS homonucl_noe_list CASCADE; DROP TABLE IF EXISTS homonucl_noe_software CASCADE; DROP TABLE IF EXISTS interatomic_dist CASCADE; DROP TABLE IF EXISTS interatomic_distance_list CASCADE; DROP TABLE IF EXISTS isotope_effect CASCADE; DROP TABLE IF EXISTS isotope_effect_experiment CASCADE; DROP TABLE IF EXISTS isotope_effect_software CASCADE; DROP TABLE IF EXISTS isotope_label_pattern CASCADE; DROP TABLE IF EXISTS j_three_bond_constraint CASCADE; DROP TABLE IF EXISTS j_three_bond_constraint_expt CASCADE; DROP TABLE IF EXISTS j_three_bond_constraint_list CASCADE; DROP TABLE IF EXISTS j_three_bond_constraint_software CASCADE; DROP TABLE IF EXISTS karplus_equation CASCADE; DROP TABLE IF EXISTS lacs_char CASCADE; DROP TABLE IF EXISTS lacs_plot CASCADE; DROP TABLE IF EXISTS local_structure_quality CASCADE; DROP TABLE IF EXISTS mass_spec CASCADE; DROP TABLE IF EXISTS mass_spec_citation CASCADE; DROP TABLE IF EXISTS mass_spec_component_param CASCADE; DROP TABLE IF EXISTS mass_spec_config CASCADE; DROP TABLE IF EXISTS mass_spec_ref_compd CASCADE; DROP TABLE IF EXISTS mass_spec_ref_compd_set CASCADE; DROP TABLE IF EXISTS mass_spec_software CASCADE; DROP TABLE IF EXISTS mass_spectrometer_list CASCADE; DROP TABLE IF EXISTS mass_spectrometer_view CASCADE; DROP TABLE IF EXISTS matched_entries CASCADE; DROP TABLE IF EXISTS method CASCADE; DROP TABLE IF EXISTS method_citation CASCADE; DROP TABLE IF EXISTS method_file CASCADE; DROP TABLE IF EXISTS method_param CASCADE; DROP TABLE IF EXISTS model_type CASCADE; DROP TABLE IF EXISTS ms_chrom_ion_annotation CASCADE; DROP TABLE IF EXISTS ms_chromatogram_experiment CASCADE; DROP TABLE IF EXISTS ms_chromatogram_ion CASCADE; DROP TABLE IF EXISTS ms_chromatogram_list CASCADE; DROP TABLE IF EXISTS ms_chromatogram_param CASCADE; DROP TABLE IF EXISTS ms_chromatogram_software CASCADE; DROP TABLE IF EXISTS ms_expt CASCADE; DROP TABLE IF EXISTS ms_expt_param CASCADE; DROP TABLE IF EXISTS ms_expt_software CASCADE; DROP TABLE IF EXISTS mz_precursor_ion CASCADE; DROP TABLE IF EXISTS mz_precursor_ion_annotation CASCADE; DROP TABLE IF EXISTS mz_product_ion CASCADE; DROP TABLE IF EXISTS mz_product_ion_annotation CASCADE; DROP TABLE IF EXISTS mz_ratio_data_list CASCADE; DROP TABLE IF EXISTS mz_ratio_experiment CASCADE; DROP TABLE IF EXISTS mz_ratio_software CASCADE; DROP TABLE IF EXISTS mz_ratio_spectrum_param CASCADE; DROP TABLE IF EXISTS natural_source_db CASCADE; DROP TABLE IF EXISTS nmr_experiment_citation CASCADE; DROP TABLE IF EXISTS nmr_experiment_file CASCADE; DROP TABLE IF EXISTS nmr_expt_systematic_name CASCADE; DROP TABLE IF EXISTS nmr_probe CASCADE; DROP TABLE IF EXISTS nmr_spec_expt CASCADE; DROP TABLE IF EXISTS nmr_spectral_proc_software CASCADE; DROP TABLE IF EXISTS nmr_spectral_processing CASCADE; DROP TABLE IF EXISTS nmr_spectrometer CASCADE; DROP TABLE IF EXISTS nmr_spectrometer_citation CASCADE; DROP TABLE IF EXISTS nmr_spectrometer_list CASCADE; DROP TABLE IF EXISTS nmr_spectrometer_probe CASCADE; DROP TABLE IF EXISTS nmr_spectrometer_probe_citation CASCADE; DROP TABLE IF EXISTS nmr_spectrometer_view CASCADE; DROP TABLE IF EXISTS observed_conformer CASCADE; DROP TABLE IF EXISTS order_param CASCADE; DROP TABLE IF EXISTS order_parameter_experiment CASCADE; DROP TABLE IF EXISTS order_parameter_list CASCADE; DROP TABLE IF EXISTS order_parameter_software CASCADE; DROP TABLE IF EXISTS org_constr_file_comment CASCADE; DROP TABLE IF EXISTS other_constraint_expt CASCADE; DROP TABLE IF EXISTS other_constraint_list CASCADE; DROP TABLE IF EXISTS other_constraint_software CASCADE; DROP TABLE IF EXISTS other_data CASCADE; DROP TABLE IF EXISTS other_data_experiment CASCADE; DROP TABLE IF EXISTS other_data_software CASCADE; DROP TABLE IF EXISTS other_data_type_list CASCADE; DROP TABLE IF EXISTS other_struct_feature CASCADE; DROP TABLE IF EXISTS other_struct_feature_list CASCADE; DROP TABLE IF EXISTS pb_char CASCADE; DROP TABLE IF EXISTS pb_list CASCADE; DROP TABLE IF EXISTS pdbx_chem_comp_feature CASCADE; DROP TABLE IF EXISTS pdbx_nonpoly_scheme CASCADE; DROP TABLE IF EXISTS pdbx_poly_seq_scheme CASCADE; DROP TABLE IF EXISTS peak CASCADE; DROP TABLE IF EXISTS peak_char CASCADE; DROP TABLE IF EXISTS peak_constraint_link CASCADE; DROP TABLE IF EXISTS peak_constraint_link_list CASCADE; DROP TABLE IF EXISTS peak_general_char CASCADE; DROP TABLE IF EXISTS peak_row_format CASCADE; DROP TABLE IF EXISTS ph_param CASCADE; DROP TABLE IF EXISTS ph_param_list CASCADE; DROP TABLE IF EXISTS ph_titr_result CASCADE; DROP TABLE IF EXISTS ph_titration_experiment CASCADE; DROP TABLE IF EXISTS ph_titration_list CASCADE; DROP TABLE IF EXISTS ph_titration_software CASCADE; DROP TABLE IF EXISTS rdc CASCADE; DROP TABLE IF EXISTS rdc_constraint CASCADE; DROP TABLE IF EXISTS rdc_constraint_comment_org CASCADE; DROP TABLE IF EXISTS rdc_constraint_conv_err CASCADE; DROP TABLE IF EXISTS rdc_constraint_expt CASCADE; DROP TABLE IF EXISTS rdc_constraint_list CASCADE; DROP TABLE IF EXISTS rdc_constraint_parse_err CASCADE; DROP TABLE IF EXISTS rdc_constraint_parse_file CASCADE; DROP TABLE IF EXISTS rdc_constraint_software CASCADE; DROP TABLE IF EXISTS rdc_experiment CASCADE; DROP TABLE IF EXISTS rdc_list CASCADE; DROP TABLE IF EXISTS rdc_software CASCADE; DROP TABLE IF EXISTS recoupling_pulse_sequence CASCADE; DROP TABLE IF EXISTS related_entries CASCADE; DROP TABLE IF EXISTS release CASCADE; DROP TABLE IF EXISTS rep_conf CASCADE; DROP TABLE IF EXISTS rep_conf_refinement CASCADE; DROP TABLE IF EXISTS rep_conf_software CASCADE; DROP TABLE IF EXISTS rep_coordinate_details CASCADE; DROP TABLE IF EXISTS representative_conformer CASCADE; DROP TABLE IF EXISTS resonance CASCADE; DROP TABLE IF EXISTS resonance_assignment CASCADE; DROP TABLE IF EXISTS resonance_covalent_link CASCADE; DROP TABLE IF EXISTS resonance_linker_list CASCADE; DROP TABLE IF EXISTS sample CASCADE; DROP TABLE IF EXISTS sample_citation CASCADE; DROP TABLE IF EXISTS sample_component CASCADE; DROP TABLE IF EXISTS sample_component_atom_isotope CASCADE; DROP TABLE IF EXISTS sample_condition_citation CASCADE; DROP TABLE IF EXISTS sample_condition_list CASCADE; DROP TABLE IF EXISTS sample_condition_variable CASCADE; DROP TABLE IF EXISTS saxs_constraint CASCADE; DROP TABLE IF EXISTS saxs_constraint_expt CASCADE; DROP TABLE IF EXISTS saxs_constraint_list CASCADE; DROP TABLE IF EXISTS saxs_constraint_software CASCADE; DROP TABLE IF EXISTS saxs_expt CASCADE; DROP TABLE IF EXISTS secondary_struct CASCADE; DROP TABLE IF EXISTS secondary_struct_list CASCADE; DROP TABLE IF EXISTS secondary_struct_sel CASCADE; DROP TABLE IF EXISTS sg_project CASCADE; DROP TABLE IF EXISTS software CASCADE; DROP TABLE IF EXISTS software_applied_history CASCADE; DROP TABLE IF EXISTS software_applied_list CASCADE; DROP TABLE IF EXISTS software_applied_methods CASCADE; DROP TABLE IF EXISTS software_citation CASCADE; DROP TABLE IF EXISTS software_specific_info CASCADE; DROP TABLE IF EXISTS software_specific_info_list CASCADE; DROP TABLE IF EXISTS spectral_acq_param CASCADE; DROP TABLE IF EXISTS spectral_density CASCADE; DROP TABLE IF EXISTS spectral_density_experiment CASCADE; DROP TABLE IF EXISTS spectral_density_list CASCADE; DROP TABLE IF EXISTS spectral_density_software CASCADE; DROP TABLE IF EXISTS spectral_dim CASCADE; DROP TABLE IF EXISTS spectral_dim_transfer CASCADE; DROP TABLE IF EXISTS spectral_peak_list CASCADE; DROP TABLE IF EXISTS spectral_peak_software CASCADE; DROP TABLE IF EXISTS spectral_processing_param CASCADE; DROP TABLE IF EXISTS spectral_transition CASCADE; DROP TABLE IF EXISTS spectral_transition_char CASCADE; DROP TABLE IF EXISTS spectral_transition_general_char CASCADE; DROP TABLE IF EXISTS spin_system CASCADE; DROP TABLE IF EXISTS spin_system_link CASCADE; DROP TABLE IF EXISTS struct_anno_char CASCADE; DROP TABLE IF EXISTS struct_anno_software CASCADE; DROP TABLE IF EXISTS struct_asym CASCADE; DROP TABLE IF EXISTS struct_classification CASCADE; DROP TABLE IF EXISTS struct_image CASCADE; DROP TABLE IF EXISTS struct_keywords CASCADE; DROP TABLE IF EXISTS structure_annotation CASCADE; DROP TABLE IF EXISTS structure_interaction CASCADE; DROP TABLE IF EXISTS structure_interaction_list CASCADE; DROP TABLE IF EXISTS study CASCADE; DROP TABLE IF EXISTS study_entry_list CASCADE; DROP TABLE IF EXISTS study_keyword CASCADE; DROP TABLE IF EXISTS study_list CASCADE; DROP TABLE IF EXISTS subsystem_biological_function CASCADE; DROP TABLE IF EXISTS subsystem_citation CASCADE; DROP TABLE IF EXISTS subsystem_common_name CASCADE; DROP TABLE IF EXISTS subsystem_component CASCADE; DROP TABLE IF EXISTS subsystem_db_link CASCADE; DROP TABLE IF EXISTS subsystem_keyword CASCADE; DROP TABLE IF EXISTS subsystem_type CASCADE; DROP TABLE IF EXISTS systematic_chem_shift_offset CASCADE; DROP TABLE IF EXISTS t1 CASCADE; DROP TABLE IF EXISTS t1rho CASCADE; DROP TABLE IF EXISTS t2 CASCADE; DROP TABLE IF EXISTS ta_constraint_comment_org CASCADE; DROP TABLE IF EXISTS ta_constraint_conv_err CASCADE; DROP TABLE IF EXISTS ta_constraint_parse_err CASCADE; DROP TABLE IF EXISTS ta_constraint_parse_file CASCADE; DROP TABLE IF EXISTS task CASCADE; DROP TABLE IF EXISTS tensor CASCADE; DROP TABLE IF EXISTS tensor_list CASCADE; DROP TABLE IF EXISTS terminal_residue CASCADE; DROP TABLE IF EXISTS tertiary_struct CASCADE; DROP TABLE IF EXISTS tertiary_struct_element_list CASCADE; DROP TABLE IF EXISTS tertiary_struct_element_sel CASCADE; DROP TABLE IF EXISTS theoretical_auto_relaxation CASCADE; DROP TABLE IF EXISTS theoretical_auto_relaxation_experiment CASCADE; DROP TABLE IF EXISTS theoretical_auto_relaxation_list CASCADE; DROP TABLE IF EXISTS theoretical_auto_relaxation_software CASCADE; DROP TABLE IF EXISTS theoretical_chem_shift CASCADE; DROP TABLE IF EXISTS theoretical_chem_shift_list CASCADE; DROP TABLE IF EXISTS theoretical_coupling_constant CASCADE; DROP TABLE IF EXISTS theoretical_coupling_constant_experiment CASCADE; DROP TABLE IF EXISTS theoretical_coupling_constant_list CASCADE; DROP TABLE IF EXISTS theoretical_coupling_constant_software CASCADE; DROP TABLE IF EXISTS theoretical_cross_correlation_dd CASCADE; DROP TABLE IF EXISTS theoretical_cross_correlation_dd_experiment CASCADE; DROP TABLE IF EXISTS theoretical_cross_correlation_dd_list CASCADE; DROP TABLE IF EXISTS theoretical_cross_correlation_dd_software CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_noe CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_noe_experiment CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_noe_list CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_noe_software CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_t1_experiment CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_t1_list CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_t1_software CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_t2_experiment CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_t2_list CASCADE; DROP TABLE IF EXISTS theoretical_heteronucl_t2_software CASCADE; DROP TABLE IF EXISTS theoretical_t1 CASCADE; DROP TABLE IF EXISTS theoretical_t2 CASCADE; DROP TABLE IF EXISTS torsion_angle CASCADE; DROP TABLE IF EXISTS torsion_angle_constraint CASCADE; DROP TABLE IF EXISTS torsion_angle_constraint_list CASCADE; DROP TABLE IF EXISTS torsion_angle_constraint_software CASCADE; DROP TABLE IF EXISTS torsion_angle_constraints_expt CASCADE; DROP TABLE IF EXISTS vendor CASCADE; DROP TABLE IF EXISTS xray_instrument CASCADE; DROP TABLE IF EXISTS entry CASCADE; -- -- (quoted from entryType) -- Items in the entry category describe an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entry -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entry_experimental_method CASCADE; CREATE TYPE ENUM_entry_experimental_method AS ENUM ( 'NMR', 'Theoretical' ); DROP TYPE IF EXISTS ENUM_entry_experimental_method_subtype CASCADE; CREATE TYPE ENUM_entry_experimental_method_subtype AS ENUM ( 'solution', 'solid-state', 'theoretical' ); DROP TYPE IF EXISTS ENUM_entry_format_name CASCADE; CREATE TYPE ENUM_entry_format_name AS ENUM ( 'NMR-STAR' ); DROP TYPE IF EXISTS ENUM_entry_type CASCADE; CREATE TYPE ENUM_entry_type AS ENUM ( 'macromolecule', 'metabolite/natural product', 'small molecule', 'small molecule structure' ); DROP TYPE IF EXISTS ENUM_entry_version_type CASCADE; CREATE TYPE ENUM_entry_version_type AS ENUM ( 'original', 'update', 'obsolete' ); CREATE TABLE entry ( -- map XSD date (xsd:date) to SQL DATE accession_date DATE , assigned_pdb_deposition_code TEXT , assigned_pdb_id TEXT , bmrb_internal_directory_name TEXT , details TEXT , doi TEXT , experimental_method ENUM_entry_experimental_method , experimental_method_subtype ENUM_entry_experimental_method_subtype , format_name ENUM_entry_format_name , -- map XSD date (xsd:date) to SQL DATE generated_date DATE , generated_software_id INTEGER , generated_software_label TEXT , generated_software_name TEXT , generated_software_version TEXT , -- map XSD date (xsd:date) to SQL DATE last_release_date DATE , nmr_star_version TEXT , original_nmr_star_version TEXT , -- map XSD date (xsd:date) to SQL DATE original_release_date DATE , origination TEXT , related_coordinate_file_name TEXT , sf_category TEXT , sf_framecode TEXT , source_data_format TEXT , source_data_format_version TEXT , -- map XSD date (xsd:date) to SQL DATE submission_date DATE , title TEXT , type ENUM_entry_type , uuid TEXT , version_type ENUM_entry_version_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY id TEXT NOT NULL ); -- -- (quoted from ambiguous_atom_chem_shiftType) -- Items in the ambiguous_atom_chem_shift category define how ambiguous assigned chemical shifts from the atom_chem_shift category should be grouped. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Ambiguous_atom_chem_shift -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ambiguous_atom_chem_shift ( ambiguous_shift_set_id INTEGER , -- ATTRIBUTE assigned_chem_shift_list_id INTEGER NOT NULL , -- ATTRIBUTE atom_chem_shift_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from angleType) -- Items in the angle category define a unique identifier for each angle described by three linked atoms in the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Angle -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE angle ( angle_name TEXT , assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , assembly_atom_id_3 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , atom_type_3 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_id_3 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , comp_index_id_3 INTEGER , comp_label_1 TEXT , comp_label_2 TEXT , comp_label_3 TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_assembly_id_3 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , entity_id_3 INTEGER , entity_label_1 TEXT , entity_label_2 TEXT , entity_label_3 TEXT , seq_id_1 INTEGER , seq_id_2 INTEGER , seq_id_3 INTEGER , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from angular_order_paramType) -- Items in the angular_order_param category define the values of the angular order parameters calculated from the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Angular_order_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE angular_order_param ( assembly_atom_id INTEGER , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id INTEGER , auth_seq_id TEXT , chi_1_s_angle_val DECIMAL , chi_2_s_angle_val DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , phi_s_angle_val DECIMAL , psi_s_angle_val DECIMAL , seq_id INTEGER , -- ATTRIBUTE angular_order_parameter_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from angular_order_parameter_listType) -- Items in the angular_order_parameter_list category provide information about a list of reported angular order parameter values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Angular_order_parameter_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE angular_order_parameter_list ( name TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from assemblyType) -- Items in the assembly category describe the molecular assembly studied. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_assembly_ambiguous_chem_comp_sites CASCADE; CREATE TYPE ENUM_assembly_ambiguous_chem_comp_sites AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_assembly_ambiguous_conformational_states CASCADE; CREATE TYPE ENUM_assembly_ambiguous_conformational_states AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_assembly_molecules_in_chemical_exchange CASCADE; CREATE TYPE ENUM_assembly_molecules_in_chemical_exchange AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_assembly_non_standard_bonds CASCADE; CREATE TYPE ENUM_assembly_non_standard_bonds AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_assembly_paramagnetic CASCADE; CREATE TYPE ENUM_assembly_paramagnetic AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_assembly_thiol_state CASCADE; CREATE TYPE ENUM_assembly_thiol_state AS ENUM ( 'all disulfide bound', 'all other bound', 'all free', 'not present', 'not available', 'unknown', 'not reported', 'free and disulfide bound', 'free and other bound', 'free disulfide and other bound', 'disulfide and other bound' ); CREATE TABLE assembly ( ambiguous_chem_comp_sites ENUM_assembly_ambiguous_chem_comp_sites , ambiguous_conformational_states ENUM_assembly_ambiguous_conformational_states , bmrb_code TEXT , -- map XSD date (xsd:date) to SQL DATE db_query_date DATE , -- map XSD date (xsd:date) to SQL DATE db_query_revised_last_date DATE , details TEXT , enzyme_commission_number TEXT , metal_ions INTEGER , molecular_mass DECIMAL , molecules_in_chemical_exchange ENUM_assembly_molecules_in_chemical_exchange , name TEXT , non_standard_bonds ENUM_assembly_non_standard_bonds , number_of_components INTEGER , organic_ligands INTEGER , paramagnetic ENUM_assembly_paramagnetic , sf_category TEXT , sf_framecode TEXT , thiol_state ENUM_assembly_thiol_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from assembly_annotation_listType) -- Items in the assembly_annotation list category provide details about the author provided annoations describing the molecular assembly studied. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_annotation_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_annotation_list ( details TEXT , sf_category TEXT , sf_framecode TEXT , source TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from assembly_bio_functionType) -- Items in the assembly_bio_function category describe the biological functions carried out by a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_bio_function -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_bio_function ( -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE biological_function TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from assembly_citationType) -- Items in the assembly_citation category provide a pointer to a citation where the molecular assembly is described. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_citation ( citation_label TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from assembly_common_nameType) -- Items in the assembly_common_name category define common names associated with the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_common_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_common_name ( -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE type TEXT NOT NULL ); -- -- (quoted from assembly_db_linkType) -- Items in the assembly_db_link category capture information about databases and accession codes of entries related to the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_db_link -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_assembly_db_link_author_supplied CASCADE; CREATE TYPE ENUM_assembly_db_link_author_supplied AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_assembly_db_link_entry_experimental_method CASCADE; CREATE TYPE ENUM_assembly_db_link_entry_experimental_method AS ENUM ( 'X-ray', 'solution NMR', 'solid-state NMR', 'FTIR', 'mass spectrometry', 'XAFS', 'NMR', 'X-ray crystallography', 'X-ray fiber diffraction', 'solid-state NMR and X-ray fiber diffraction', 'na' ); DROP TYPE IF EXISTS ENUM_assembly_db_link_database_code CASCADE; CREATE TYPE ENUM_assembly_db_link_database_code AS ENUM ( 'PDB', 'BMRB', 'DBJ', 'EMBL', 'GB', 'PIR', 'PRF', 'REF', 'SP', 'UNP', 'NCBI', 'PubMed', 'SGD', 'SMART', 'TargetDB', 'BMRB(withdrawn)' ); CREATE TABLE assembly_db_link ( author_supplied ENUM_assembly_db_link_author_supplied , entry_details TEXT , entry_experimental_method ENUM_assembly_db_link_entry_experimental_method , entry_mol_code TEXT , entry_mol_name TEXT , entry_relation_type TEXT , entry_structure_resolution DECIMAL , -- ATTRIBUTE accession_code TEXT NOT NULL , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE database_code ENUM_assembly_db_link_database_code NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from assembly_interactionType) -- Items in the assembly_interaction category capture information about the types of interactions between components of the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_interaction -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_assembly_interaction_mol_interaction_type CASCADE; CREATE TYPE ENUM_assembly_interaction_mol_interaction_type AS ENUM ( 'Extremely slow exchange', 'Slow exchange', 'Intermediate exchange', 'Fast exchange', 'No interaction', 'na' ); CREATE TABLE assembly_interaction ( entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , mol_interaction_type ENUM_assembly_interaction_mol_interaction_type , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from assembly_keywordType) -- Items in the assembly_keyword category provide keywords describing the molecular system. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_keyword -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_keyword ( -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE keyword TEXT NOT NULL ); -- -- (quoted from assembly_segmentType) -- Items in the assembly_segment category define at levels from atom to chemical component subsets of the assembly. The subsets may be but are not limited to contiguous atoms or components of the assembly. As an example, the active site of a molecular assembly could be defined as a segment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_segment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_segment ( assembly_atom_id INTEGER , atom_id TEXT , comp_id TEXT , comp_index_id INTEGER , comp_label TEXT , entity_assembly_id INTEGER , entity_id INTEGER , entity_label TEXT , seq_id INTEGER , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from assembly_segment_descriptionType) -- Items in the assembly_segment_description category provide a description of an assembly segment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_segment_description -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_segment_description ( code TEXT , details TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE assembly_segment_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from assembly_subsystemType) -- Items in the assembly_subsystem category describe the molecule(s) in an assembly that together make up a subset that has structural or functional significance. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_subsystem -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assembly_subsystem ( cas_name TEXT , cas_registry_number TEXT , -- map XSD date (xsd:date) to SQL DATE db_last_query_revised_last_date DATE , -- map XSD date (xsd:date) to SQL DATE db_query_date DATE , details TEXT , enzyme_commission_number TEXT , molecular_mass DECIMAL , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from assembly_systematic_nameType) -- Items in the assembly_systematic_name category capture systematic naming systems and the systematic name for the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_systematic_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_assembly_systematic_name_naming_system CASCADE; CREATE TYPE ENUM_assembly_systematic_name_naming_system AS ENUM ( 'IUPAC', 'CAS name', 'CAS registry number', 'BMRB', 'Pfam', 'Swiss-Prot', 'MEROPS' ); CREATE TABLE assembly_systematic_name ( name TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE naming_system ENUM_assembly_systematic_name_naming_system NOT NULL ); -- -- (quoted from assembly_typeType) -- Items in the assembly_type category describe the kind of assembly studied. These are keywords that are specific to a description of the assembly in terms of the types and number of components that make up the assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assembly_type -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_assembly_type_type CASCADE; CREATE TYPE ENUM_assembly_type_type AS ENUM ( 'peptide', 'protein monomer', 'protein homo-multimer', 'protein hetero-multimer', 'RNA single strand', 'RNA double strand', 'DNA single strand', 'DNA double strand', 'DNA-RNA hybrid', 'polysaccharide', 'protein-nucleic acid complex', 'protein-inhibitor complex', 'protein-drug complex', 'protein-ligand complex', 'protein-protein complex', 'protein-DNA complex', 'protein-DNA-ligand complex', 'protein-DNA-inhibitor complex', 'protein-RNA complex', 'protein-RNA-ligand complex', 'protein-RNA-inhibitor complex', 'protein-carbohydrate complex', 'DNA-drug complex', 'DNA-RNA complex', 'RNA-drug complex', 'non-polymer' ); CREATE TABLE assembly_type ( -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE type ENUM_assembly_type_type NOT NULL ); -- -- (quoted from assigned_chem_shift_listType) -- Items in the assigned_chem_shift_list category provide information about a list of reported assigned chemical shift values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assigned_chem_shift_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assigned_chem_shift_list ( chem_shift_13c_err DECIMAL , chem_shift_15n_err DECIMAL , chem_shift_19f_err DECIMAL , chem_shift_1h_err DECIMAL , chem_shift_2h_err DECIMAL , chem_shift_31p_err DECIMAL , chem_shift_reference_id INTEGER , chem_shift_reference_label TEXT , details TEXT , error_derivation_method TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from assigned_peak_chem_shiftType) -- Items in the assigned_peak_chem_shift category define the atom(s) assigned to individual peaks in the spectral peak list. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assigned_peak_chem_shift -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assigned_peak_chem_shift ( ambiguity_code INTEGER , ambiguity_set_id INTEGER , assembly_atom_id INTEGER , assigned_chem_shift_list_id INTEGER , atom_chem_shift_id INTEGER , atom_id TEXT , auth_amb_atom_grp_id INTEGER , auth_ambiguity_code TEXT , auth_ambiguity_set_id TEXT , auth_atom_id TEXT , auth_atom_peak_num INTEGER , auth_comp_id TEXT , auth_entity_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , contribution_fractional_val DECIMAL , details TEXT , entity_assembly_id INTEGER , entity_id INTEGER , figure_of_merit DECIMAL , magnetization_linkage_id INTEGER , resonance_id INTEGER , set_id INTEGER , val DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE peak_id INTEGER NOT NULL , -- ATTRIBUTE spectral_dim_id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from assigned_spectral_transitionType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Assigned_spectral_transition -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE assigned_spectral_transition ( assembly_atom_id INTEGER , assigned_chem_shift_list_id INTEGER , atom_chem_shift_id INTEGER , atom_id TEXT , comp_id TEXT , comp_index_id INTEGER , contribution_fractional_val DECIMAL , details TEXT , entity_assembly_id INTEGER , entity_id INTEGER , figure_of_merit DECIMAL , magnetization_linkage_id INTEGER , peak_id INTEGER , resonance_id INTEGER , set_id INTEGER , val DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE spectral_dim_id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL , -- ATTRIBUTE spectral_transition_id INTEGER NOT NULL ); -- -- (quoted from atomType) -- Items in the atom category provide atom level nomenclature and mappings for polymer and non-polymer components in the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Atom -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE atom ( atom_id TEXT , atom_type_id INTEGER , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , pdb_asym_id TEXT , pdb_atom_id TEXT , pdb_atom_type TEXT , pdb_comp_id TEXT , pdb_group TEXT , pdb_ins_code TEXT , pdb_one_letter_code TEXT , pdb_seq_id INTEGER , pdb_strand_id TEXT , seq_id INTEGER , type_symbol TEXT , -- ATTRIBUTE assembly_atom_id INTEGER NOT NULL , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from atom_chem_shiftType) -- Items in the atom_chem_shift category describe the chemical shift values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Atom_chem_shift -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_atom_chem_shift_ambiguity_code CASCADE; CREATE TYPE ENUM_atom_chem_shift_ambiguity_code AS ENUM ( '1', '2', '3', '4', '5', '6', '9' ); CREATE TABLE atom_chem_shift ( ambiguity_code ENUM_atom_chem_shift_ambiguity_code , ambiguity_set_id INTEGER , assembly_atom_id INTEGER , assign_fig_of_merit DECIMAL , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_asym_id TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , details TEXT , entity_assembly_id INTEGER , entity_id INTEGER , occupancy TEXT , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE assigned_chem_shift_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from atom_nomenclatureType) -- Items in the atom_nomenclature category define alternative atom nomenclature for the atoms in a chemical compound. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Atom_nomenclature -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE atom_nomenclature ( atom_name TEXT , naming_system TEXT , -- ATTRIBUTE atom_id TEXT NOT NULL , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from atom_siteType) -- Data items in the atom_site category record details about the atom sites in a macromolecular structure, such as the positional coordinates, atomic displacement parameters, magnetic moments and directions. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Atom_site -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_atom_site_ordered_flag CASCADE; CREATE TYPE ENUM_atom_site_ordered_flag AS ENUM ( '1', '0' ); CREATE TABLE atom_site ( assembly_atom_id INTEGER , assembly_id INTEGER , auth_alt_id TEXT , auth_asym_id TEXT , auth_atom_id TEXT , auth_atom_name TEXT , auth_chain_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id INTEGER , auth_seq_id TEXT , cartn_x DECIMAL , cartn_x_esd DECIMAL , cartn_y DECIMAL , cartn_y_esd DECIMAL , cartn_z DECIMAL , cartn_z_esd DECIMAL , details TEXT , footnote_id INTEGER , label_atom_id TEXT , label_comp_id TEXT , label_comp_index_id INTEGER , label_entity_assembly_id INTEGER , label_entity_id INTEGER , model_id INTEGER , model_site_id INTEGER , occupancy DECIMAL , occupancy_esd DECIMAL , ordered_flag ENUM_atom_site_ordered_flag , pdb_atom_name TEXT , pdb_ins_code TEXT , pdb_model_num INTEGER , pdb_record_id TEXT , pdb_residue_name TEXT , pdb_residue_no TEXT , pdb_strand_id TEXT , pdbx_formal_charge INTEGER , pdbx_label_asym_id TEXT , pdbx_label_atom_id TEXT , pdbx_label_comp_id TEXT , pdbx_label_entity_id TEXT , pdbx_label_seq_id INTEGER , type_symbol TEXT , uncertainty DECIMAL , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from atom_sites_footnoteType) -- Data items in the atom_sites_footnote category record detailed comments about an atom site or a group of atom sites. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Atom_sites_footnote -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE atom_sites_footnote ( text TEXT , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE footnote_id INTEGER NOT NULL ); -- -- (quoted from atom_typeType) -- Items in the atom_type category describe atoms from the periodic table. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Atom_type -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_atom_type_paramagnetic CASCADE; CREATE TYPE ENUM_atom_type_paramagnetic AS ENUM ( 'yes', 'no' ); CREATE TABLE atom_type ( atomic_mass DECIMAL , atomic_number INTEGER , electron_configuration TEXT , isotope_number INTEGER , oxidation_number TEXT , paramagnetic ENUM_atom_type_paramagnetic , symbol TEXT , unpaired_electron_number INTEGER , van_der_vaals_radii DECIMAL , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from author_annotationType) -- Items in the assembly_annotation category define the author supplied annotations that describe the molecular assembly studied. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Author_annotation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE author_annotation ( annotation_code TEXT , assembly_atom_id INTEGER , assembly_id INTEGER , assembly_subsystem_id INTEGER , atom_id TEXT , comp_id TEXT , comp_index_id INTEGER , comp_index_id_end INTEGER , comp_index_id_start INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , seq_id INTEGER , seq_id_end INTEGER , seq_id_start INTEGER , -- ATTRIBUTE assembly_annotation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from auto_relaxationType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Auto_relaxation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE auto_relaxation ( assembly_atom_id INTEGER , assembly_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , auto_relaxation_val DECIMAL , auto_relaxation_val_err DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , rex_val DECIMAL , rex_val_err DECIMAL , seq_id INTEGER , -- ATTRIBUTE auto_relaxation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from auto_relaxation_experimentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Auto_relaxation_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_auto_relaxation_experiment_sample_state CASCADE; CREATE TYPE ENUM_auto_relaxation_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE auto_relaxation_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_auto_relaxation_experiment_sample_state , -- ATTRIBUTE auto_relaxation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from auto_relaxation_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Auto_relaxation_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_auto_relaxation_list_common_relaxation_type_name CASCADE; CREATE TYPE ENUM_auto_relaxation_list_common_relaxation_type_name AS ENUM ( 'R1', 'R2', 'R1rho', 'ZQ relaxation', 'longitudinal spin order', 'single quantum antiphase', 'DQ relaxation' ); DROP TYPE IF EXISTS ENUM_auto_relaxation_list_relaxation_coherence_type CASCADE; CREATE TYPE ENUM_auto_relaxation_list_relaxation_coherence_type AS ENUM ( 'Iz', 'Sz', '(I+)+(I-)', '(S+)+(S-)', 'I+', 'I-', 'S+', 'S-', '(I+S-)+(I-S+)', 'I-S+', 'I+S-', 'IzSz', '((I+)+(I-))Sz', 'Iz((S+)+(S-))', 'I+Sz', 'I-Sz', 'IzS+', 'IzS-', '(I+S+)+(I-S-)', 'I+S+', 'I-S-' ); DROP TYPE IF EXISTS ENUM_auto_relaxation_list_relaxation_val_units CASCADE; CREATE TYPE ENUM_auto_relaxation_list_relaxation_val_units AS ENUM ( 's-1', 'ms-1', 'us-1', 'ns-1', 'ps-1' ); DROP TYPE IF EXISTS ENUM_auto_relaxation_list_rex_units CASCADE; CREATE TYPE ENUM_auto_relaxation_list_rex_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); DROP TYPE IF EXISTS ENUM_auto_relaxation_list_temp_calibration_method CASCADE; CREATE TYPE ENUM_auto_relaxation_list_temp_calibration_method AS ENUM ( 'methanol', 'monoethylene glycol', 'no calibration applied' ); DROP TYPE IF EXISTS ENUM_auto_relaxation_list_temp_control_method CASCADE; CREATE TYPE ENUM_auto_relaxation_list_temp_control_method AS ENUM ( 'single scan interleaving', 'temperature compensation block', 'single scan interleaving and temperature compensation block', 'no temperature control applied' ); CREATE TABLE auto_relaxation_list ( common_relaxation_type_name ENUM_auto_relaxation_list_common_relaxation_type_name , details TEXT , exact_field_strength DECIMAL , name TEXT , relaxation_coherence_type ENUM_auto_relaxation_list_relaxation_coherence_type , relaxation_val_units ENUM_auto_relaxation_list_relaxation_val_units , rex_field_strength TEXT , rex_units ENUM_auto_relaxation_list_rex_units , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , temp_calibration_method ENUM_auto_relaxation_list_temp_calibration_method , temp_control_method ENUM_auto_relaxation_list_temp_control_method , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from auto_relaxation_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Auto_relaxation_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE auto_relaxation_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE auto_relaxation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from auxiliary_filesType) -- Items in the auxiliary_files category provide information on a list of files available from BMRB that contain information directly related to the entry (e.g. validation reports, software scripts, data in the original format, and others). -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Auxiliary_files -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE auxiliary_files ( details TEXT , doi TEXT , format TEXT , name TEXT , path TEXT , uri TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from binding_experimentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Binding_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_binding_experiment_sample_state CASCADE; CREATE TYPE ENUM_binding_experiment_sample_state AS ENUM ( 'anisotropic', 'isotropic' ); CREATE TABLE binding_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_binding_experiment_sample_state , -- ATTRIBUTE binding_value_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from binding_paramType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Binding_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE binding_param ( binding_result_id INTEGER , concentration_val DECIMAL , concentration_val_err DECIMAL , concentration_val_units TEXT , observed_param TEXT , observed_param_val DECIMAL , observed_param_val_err DECIMAL , -- ATTRIBUTE binding_param_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from binding_param_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Binding_param_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE binding_param_list ( binding_value_list_id INTEGER , binding_value_list_label TEXT , concentration_val_units TEXT , details TEXT , name TEXT , observed_param TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from binding_partnersType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Binding_partners -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE binding_partners ( binding_result_id INTEGER , entity_assembly_id INTEGER , entity_assembly_name TEXT , entity_label TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE binding_value_list_id INTEGER NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from binding_resultType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Binding_result -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE binding_result ( assembly_id INTEGER , atm_obs_assembly_atom_id INTEGER , atm_obs_atom_id TEXT , atm_obs_atom_isotope_number INTEGER , atm_obs_atom_type TEXT , atm_obs_auth_atom_id TEXT , atm_obs_auth_comp_id TEXT , atm_obs_auth_entity_assembly_id TEXT , atm_obs_auth_seq_id TEXT , atm_obs_comp_id TEXT , atm_obs_comp_index_id INTEGER , atm_obs_entity_assembly_id INTEGER , atm_obs_entity_id INTEGER , atm_obs_seq_id INTEGER , experiment_id INTEGER , expt_observed_param TEXT , resonance_id INTEGER , val DECIMAL , val_err DECIMAL , val_type TEXT , val_units TEXT , -- ATTRIBUTE binding_value_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from binding_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Binding_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE binding_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE binding_value_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from binding_value_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Binding_value_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE binding_value_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from bondType) -- Items in the bond category define a unique identifier for each bond in the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Bond -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_bond_type CASCADE; CREATE TYPE ENUM_bond_type AS ENUM ( 'amide', 'covalent', 'directed', 'disulfide', 'ester', 'ether', 'hydrogen', 'metal coordination', 'peptide', 'thioether', 'oxime', 'thioester', 'phosphoester', 'phosphodiester', 'diselenide', 'na' ); DROP TYPE IF EXISTS ENUM_bond_value_order CASCADE; CREATE TYPE ENUM_bond_value_order AS ENUM ( 'sing', 'doub', 'trip', 'quad', 'arom', 'poly', 'delo', 'pi', 'directed' ); CREATE TABLE bond ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_entity_assembly_name_1 TEXT , auth_entity_assembly_name_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_assembly_name_1 TEXT , entity_assembly_name_2 TEXT , entity_id_1 INTEGER , entity_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , type ENUM_bond_type , value_order ENUM_bond_value_order , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from bond_annotationType) -- Items in the bond_annotation category record additional information describing characteristics of specific bonds in the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Bond_annotation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_bond_annotation_type CASCADE; CREATE TYPE ENUM_bond_annotation_type AS ENUM ( 'amide', 'covalent', 'directed', 'disulfide', 'ester', 'ether', 'hydrogen', 'metal coordination', 'peptide', 'thioether', 'oxime', 'thioester', 'phosphoester', 'phosphodiester', 'diselenide', 'na' ); DROP TYPE IF EXISTS ENUM_bond_annotation_value_order CASCADE; CREATE TYPE ENUM_bond_annotation_value_order AS ENUM ( 'sing', 'doub', 'trip', 'quad', 'arom', 'poly', 'delo', 'pi', 'directed' ); CREATE TABLE bond_annotation ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , details TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , selection_method_id INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , type ENUM_bond_annotation_type , value_order ENUM_bond_annotation_value_order , -- ATTRIBUTE bond_annotation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from bond_annotation_listType) -- Items in the bond_annotation_list category provide information about a list of reported bond annotations for the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Bond_annotation_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE bond_annotation_list ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from bond_observed_conformerType) -- Items in the bond_observed_conformer define the individual conformer within a family of conformers where the bond characteristics identified are found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Bond_observed_conformer -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE bond_observed_conformer ( -- ATTRIBUTE atom_site_model_id INTEGER NOT NULL , -- ATTRIBUTE bond_annotation_id INTEGER NOT NULL , -- ATTRIBUTE bond_annotation_list_id INTEGER NOT NULL , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from ca_cb_constraintType) -- Items in the CA_CB_constraint category describe the assigned 13CA and 13CB chemical shift values used as constraints in calculating the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=CA_CB_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ca_cb_constraint ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , assembly_atom_id_3 INTEGER , assembly_atom_id_4 INTEGER , assembly_atom_id_5 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , atom_id_4 TEXT , atom_id_5 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , atom_type_3 TEXT , atom_type_4 TEXT , atom_type_5 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_asym_id_3 TEXT , auth_asym_id_4 TEXT , auth_asym_id_5 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_atom_id_3 TEXT , auth_atom_id_4 TEXT , auth_atom_id_5 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_comp_id_3 TEXT , auth_comp_id_4 TEXT , auth_comp_id_5 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_entity_assembly_id_3 INTEGER , auth_entity_assembly_id_4 INTEGER , auth_entity_assembly_id_5 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , auth_seq_id_3 TEXT , auth_seq_id_4 TEXT , auth_seq_id_5 TEXT , ca_chem_shift_val DECIMAL , ca_chem_shift_val_err DECIMAL , cb_chem_shift_val DECIMAL , cb_chem_shift_val_err DECIMAL , comp_id_1 TEXT , comp_id_2 TEXT , comp_id_3 TEXT , comp_id_4 TEXT , comp_id_5 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , comp_index_id_3 INTEGER , comp_index_id_4 INTEGER , comp_index_id_5 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_assembly_id_3 INTEGER , entity_assembly_id_4 INTEGER , entity_assembly_id_5 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , entity_id_3 INTEGER , entity_id_4 INTEGER , entity_id_5 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , resonance_id_3 INTEGER , resonance_id_4 INTEGER , resonance_id_5 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , seq_id_3 INTEGER , seq_id_4 INTEGER , seq_id_5 INTEGER , source_experiment_id INTEGER , -- ATTRIBUTE ca_cb_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from ca_cb_constraint_exptType) -- Items in the CA_CB_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported CA_CB chemical shift constraints. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=CA_CB_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_ca_cb_constraint_expt_sample_state CASCADE; CREATE TYPE ENUM_ca_cb_constraint_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE ca_cb_constraint_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_ca_cb_constraint_expt_sample_state , -- ATTRIBUTE ca_cb_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from ca_cb_constraint_listType) -- Items in the CA_CB_constraint_list category provide information about a list of reported 13CA-13CB chemical shift constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=CA_CB_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ca_cb_constraint_list ( block_id INTEGER , constraint_file_id INTEGER , data_file_format TEXT , details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , units TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from ca_cb_constraint_softwareType) -- Items in the CA_CB_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=CA_CB_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ca_cb_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE ca_cb_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from characteristicType) -- Items in the characteristics category define specific physical characteristics for a chemical component and links to the source of the information. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Characteristic -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE characteristic ( atom_id TEXT , chemical_group TEXT , citation_id INTEGER , citation_label TEXT , name TEXT , source TEXT , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_compType) -- Items in the chem_comp category describe the chemical components that make up a molecular entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_ambiguous_flag CASCADE; CREATE TYPE ENUM_chem_comp_ambiguous_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_aromatic CASCADE; CREATE TYPE ENUM_chem_comp_aromatic AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_atom_nomenclature_source CASCADE; CREATE TYPE ENUM_chem_comp_atom_nomenclature_source AS ENUM ( 'ALATIS', 'BMRB' ); DROP TYPE IF EXISTS ENUM_chem_comp_formal_charge CASCADE; CREATE TYPE ENUM_chem_comp_formal_charge AS ENUM ( '5+', '4+', '3+', '2+', '1+', '0', '1-', '2-', '3-', '4-', '5-' ); DROP TYPE IF EXISTS ENUM_chem_comp_ideal_coordinates_missing_flag CASCADE; CREATE TYPE ENUM_chem_comp_ideal_coordinates_missing_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_image_file_format CASCADE; CREATE TYPE ENUM_chem_comp_image_file_format AS ENUM ( 'gif', 'jpeg', 'pdf', 'png', 'ps', 'tiff', 'not applicable' ); DROP TYPE IF EXISTS ENUM_chem_comp_model_coordinates_missing_flag CASCADE; CREATE TYPE ENUM_chem_comp_model_coordinates_missing_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_mon_nstd_flag CASCADE; CREATE TYPE ENUM_chem_comp_mon_nstd_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_paramagnetic CASCADE; CREATE TYPE ENUM_chem_comp_paramagnetic AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_processing_site CASCADE; CREATE TYPE ENUM_chem_comp_processing_site AS ENUM ( 'EBI', 'MSD', 'PDBE', 'PDBJ', 'RCSB' ); DROP TYPE IF EXISTS ENUM_chem_comp_provenance CASCADE; CREATE TYPE ENUM_chem_comp_provenance AS ENUM ( 'BMRB', 'PDB', 'PubChem', 'na' ); DROP TYPE IF EXISTS ENUM_chem_comp_release_status CASCADE; CREATE TYPE ENUM_chem_comp_release_status AS ENUM ( 'REL', 'HOLD', 'HPUB', 'OBS', 'DEL' ); DROP TYPE IF EXISTS ENUM_chem_comp_type CASCADE; CREATE TYPE ENUM_chem_comp_type AS ENUM ( 'D-PEPTIDE LINKING', 'L-PEPTIDE LINKING', 'D-PEPTIDE NH3 AMINO TERMINUS', 'L-PEPTIDE NH3 AMINO TERMINUS', 'D-PEPTIDE COOH CARBOXY TERMINUS', 'L-PEPTIDE COOH CARBOXY TERMINUS', 'DNA LINKING', 'RNA LINKING', 'L-RNA LINKING', 'L-DNA LINKING', 'DNA OH 5 PRIME TERMINUS', 'RNA OH 5 PRIME TERMINUS', 'DNA OH 3 PRIME TERMINUS', 'RNA OH 3 PRIME TERMINUS', 'D-SACCHARIDE 1,4 AND 1,4 LINKING', 'L-SACCHARIDE 1,4 AND 1,4 LINKING', 'D-SACCHARIDE 1,4 AND 1,6 LINKING', 'L-SACCHARIDE 1,4 AND 1,6 LINKING', 'L-SACCHARIDE', 'D-SACCHARIDE', 'SACCHARIDE', 'NON-POLYMER', 'PEPTIDE LINKING', 'PEPTIDE-LIKE', 'L-GAMMA-PEPTIDE, C-DELTA LINKING', 'D-GAMMA-PEPTIDE, C-DELTA LINKING', 'L-BETA-PEPTIDE, C-GAMMA LINKING', 'D-BETA-PEPTIDE, C-GAMMA LINKING', 'OTHER' ); DROP TYPE IF EXISTS ENUM_chem_comp_vendor CASCADE; CREATE TYPE ENUM_chem_comp_vendor AS ENUM ( 'Sigma', 'Aldrich', 'Sigma/Aldrich' ); CREATE TABLE chem_comp ( ambiguous_flag ENUM_chem_comp_ambiguous_flag , aromatic ENUM_chem_comp_aromatic , atom_nomenclature_source ENUM_chem_comp_atom_nomenclature_source , bmrb_code TEXT , -- map XSD date (xsd:date) to SQL DATE db_last_query_revised_last_date DATE , -- map XSD date (xsd:date) to SQL DATE db_query_date DATE , details TEXT , formal_charge ENUM_chem_comp_formal_charge , formula TEXT , formula_mono_iso_wt_13c DECIMAL , formula_mono_iso_wt_13c_15n DECIMAL , formula_mono_iso_wt_15n DECIMAL , formula_mono_iso_wt_nat DECIMAL , formula_weight DECIMAL , ideal_coordinates_details TEXT , ideal_coordinates_missing_flag ENUM_chem_comp_ideal_coordinates_missing_flag , image_file_format ENUM_chem_comp_image_file_format , image_file_name TEXT , inchi_code TEXT , -- map XSD date (xsd:date) to SQL DATE initial_date DATE , model_coordinates_db_code TEXT , model_coordinates_details TEXT , model_coordinates_missing_flag ENUM_chem_comp_model_coordinates_missing_flag , model_details TEXT , model_erf TEXT , model_source TEXT , -- map XSD date (xsd:date) to SQL DATE modified_date DATE , mon_nstd_class TEXT , mon_nstd_details TEXT , mon_nstd_flag ENUM_chem_comp_mon_nstd_flag , mon_nstd_parent TEXT , mon_nstd_parent_comp_id TEXT , name TEXT , number_atoms_all INTEGER , number_atoms_nh INTEGER , one_letter_code TEXT , paramagnetic ENUM_chem_comp_paramagnetic , pdb_code TEXT , processing_site ENUM_chem_comp_processing_site , provenance ENUM_chem_comp_provenance , pubchem_code TEXT , release_status ENUM_chem_comp_release_status , replaced_by TEXT , replaces TEXT , sf_category TEXT , sf_framecode TEXT , std_deriv_bmrb_code TEXT , std_deriv_chem_comp_name TEXT , std_deriv_one_letter_code TEXT , std_deriv_pdb_code TEXT , std_deriv_three_letter_code TEXT , stereochem_param_file_format TEXT , stereochem_param_file_name TEXT , struct_file_format TEXT , struct_file_name TEXT , subcomponent_list TEXT , synonyms TEXT , three_letter_code TEXT , topo_file_format TEXT , topo_file_name TEXT , type ENUM_chem_comp_type , vendor ENUM_chem_comp_vendor , vendor_product_code TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id TEXT NOT NULL ); -- -- (quoted from chem_comp_angleType) -- Items in the chem_comp_angle category define the two bond angles in a chemical component. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_angle -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_comp_angle ( atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , details TEXT , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_comp_assemblyType) -- Items in the chem_comp_assembly category provide chemical component level nomenclature and mappings across both biopolymer and non-polymer components of the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_assembly -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_assembly_cis_residue CASCADE; CREATE TYPE ENUM_chem_comp_assembly_cis_residue AS ENUM ( 'yes', 'no' ); CREATE TABLE chem_comp_assembly ( assembly_chem_comp_id TEXT , auth_asym_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , auth_variant_id TEXT , cis_residue ENUM_chem_comp_assembly_cis_residue , comp_id TEXT , entity_id INTEGER , nef_index INTEGER , seq_id INTEGER , sequence_linking TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from chem_comp_atomType) -- Items in the chem_comp_atom category define the atoms in a chemical component, the name for each atom, and characteristics of each atom in the chemical component. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_atom -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_atom_aromatic_flag CASCADE; CREATE TYPE ENUM_chem_comp_atom_aromatic_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_atom_chirality CASCADE; CREATE TYPE ENUM_chem_comp_atom_chirality AS ENUM ( 'N', 'E', 'Z', 'R', 'S', 'pro-R', 'pro-S' ); DROP TYPE IF EXISTS ENUM_chem_comp_atom_ionizable CASCADE; CREATE TYPE ENUM_chem_comp_atom_ionizable AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_atom_leaving_atom_flag CASCADE; CREATE TYPE ENUM_chem_comp_atom_leaving_atom_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_atom_stereo_config CASCADE; CREATE TYPE ENUM_chem_comp_atom_stereo_config AS ENUM ( 'N', 'E', 'Z', 'R', 'S' ); DROP TYPE IF EXISTS ENUM_chem_comp_atom_substruct_code CASCADE; CREATE TYPE ENUM_chem_comp_atom_substruct_code AS ENUM ( 'main', 'side', 'base', 'phos', 'sugar', 'none' ); CREATE TABLE chem_comp_atom ( align INTEGER , alt_atom_id TEXT , aromatic_flag ENUM_chem_comp_atom_aromatic_flag , auth_atom_id TEXT , bmrb_code TEXT , charge TEXT , chirality ENUM_chem_comp_atom_chirality , details TEXT , drawing_2d_coord_x DECIMAL , drawing_2d_coord_y DECIMAL , ionizable ENUM_chem_comp_atom_ionizable , isotope_number INTEGER , leaving_atom_flag ENUM_chem_comp_atom_leaving_atom_flag , model_cartn_x DECIMAL , model_cartn_x_esd DECIMAL , model_cartn_x_ideal DECIMAL , model_cartn_y DECIMAL , model_cartn_y_esd DECIMAL , model_cartn_y_ideal DECIMAL , model_cartn_z DECIMAL , model_cartn_z_esd DECIMAL , model_cartn_z_ideal DECIMAL , oxidation_number TEXT , partial_charge DECIMAL , pdb_atom_id TEXT , pdbx_ordinal INTEGER , stereo_config ENUM_chem_comp_atom_stereo_config , substruct_code ENUM_chem_comp_atom_substruct_code , type_symbol TEXT , unpaired_electron_number INTEGER , -- ATTRIBUTE atom_id TEXT NOT NULL , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from chem_comp_bio_functionType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_bio_function -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_comp_bio_function ( -- ATTRIBUTE biological_function TEXT NOT NULL , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from chem_comp_bondType) -- Items in the chem_comp_bond category define the chemical bonds in a chemical component. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_bond -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_bond_aromatic_flag CASCADE; CREATE TYPE ENUM_chem_comp_bond_aromatic_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_chem_comp_bond_stereo_config CASCADE; CREATE TYPE ENUM_chem_comp_bond_stereo_config AS ENUM ( 'E', 'Z', 'N' ); DROP TYPE IF EXISTS ENUM_chem_comp_bond_type CASCADE; CREATE TYPE ENUM_chem_comp_bond_type AS ENUM ( 'amide', 'covalent', 'directed', 'disulfide', 'ester', 'ether', 'hydrogen', 'metal coordination', 'peptide', 'thioether' ); DROP TYPE IF EXISTS ENUM_chem_comp_bond_value_order CASCADE; CREATE TYPE ENUM_chem_comp_bond_value_order AS ENUM ( 'SING', 'DOUB', 'TRIP', 'QUAD', 'AROM', 'POLY', 'DELO', 'PI', 'DIRECTED' ); CREATE TABLE chem_comp_bond ( aromatic_flag ENUM_chem_comp_bond_aromatic_flag , atom_id_1 TEXT , atom_id_2 TEXT , details TEXT , ordinal INTEGER , stereo_config ENUM_chem_comp_bond_stereo_config , type ENUM_chem_comp_bond_type , value_order ENUM_chem_comp_bond_value_order , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_comp_citationType) -- Items in the chem_comp_citation category provide pointers to the citations category where information defining citations that describe a chemical component can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_comp_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from chem_comp_common_nameType) -- Items in the chem_comp_common_name category provide a list of common names for a chemical component. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_common_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_common_name_type CASCADE; CREATE TYPE ENUM_chem_comp_common_name_type AS ENUM ( 'abbreviation', 'name', 'na' ); CREATE TABLE chem_comp_common_name ( -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE type ENUM_chem_comp_common_name_type NOT NULL ); -- -- (quoted from chem_comp_db_linkType) -- Items in the chem_comp_db_link category provide the names of databases and accession numbers for entries in the databases that are related to a chemical component and information about the linked entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_db_link -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_db_link_author_supplied CASCADE; CREATE TYPE ENUM_chem_comp_db_link_author_supplied AS ENUM ( 'yes', 'no' ); CREATE TABLE chem_comp_db_link ( accession_code_type TEXT , author_supplied ENUM_chem_comp_db_link_author_supplied , entry_details TEXT , entry_experimental_method TEXT , entry_mol_code TEXT , entry_mol_name TEXT , entry_relation_type TEXT , -- ATTRIBUTE accession_code TEXT NOT NULL , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE database_code TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from chem_comp_descriptorType) -- Data items in the chem_comp_descriptor category provide string descriptors of component chemical structure. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_descriptor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_descriptor_program CASCADE; CREATE TYPE ENUM_chem_comp_descriptor_program AS ENUM ( 'ACD', 'OECHEM', 'CACTVS', 'DAYLIGHT', 'OTHER', 'na' ); DROP TYPE IF EXISTS ENUM_chem_comp_descriptor_type CASCADE; CREATE TYPE ENUM_chem_comp_descriptor_type AS ENUM ( 'SMILES_CANONICAL', 'SMILES_ISOMERIC', 'SMILES', 'INCHI', 'INCHI_MAIN', 'INCHI_MAIN_FORMULA', 'INCHI_MAIN_CONNECT', 'INCHI_MAIN_HATOM', 'INCHI_CHARGE', 'INCHI_STEREO', 'INCHI_ISOTOPE', 'INCHI_FIXEDH', 'INCHI_RECONNECT', 'na' ); CREATE TABLE chem_comp_descriptor ( -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE descriptor TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE program ENUM_chem_comp_descriptor_program NOT NULL , -- ATTRIBUTE program_version TEXT NOT NULL , -- ATTRIBUTE type ENUM_chem_comp_descriptor_type NOT NULL ); -- -- (quoted from chem_comp_identifierType) -- Data items in the chem_comp_identifier category provide identifiers for chemical components. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_identifier -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_identifier_program CASCADE; CREATE TYPE ENUM_chem_comp_identifier_program AS ENUM ( 'OECHEM', 'DAYLIGHT', 'ACD', 'AUTONOM', 'OTHER' ); DROP TYPE IF EXISTS ENUM_chem_comp_identifier_type CASCADE; CREATE TYPE ENUM_chem_comp_identifier_type AS ENUM ( 'common name', 'systematic name', 'CAS Registry number', 'PUBCHEM Identifier', 'PUBCHEM CID', 'PUBCHEM SID', 'MDL Identifier', 'PUBCHEM_IUPAC_NAME', 'PUBCHEM_IUPAC_CAS_NAME', 'PUBCHEM_IUPAC_OPENEYE_NAME', 'PUBCHEM_IUPAC_SYSTEMATIC_NAME', 'PUBCHEM_IUPAC_TRADITIONAL_NAME', 'NSC NUMBER' ); CREATE TABLE chem_comp_identifier ( -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE identifier TEXT NOT NULL , -- ATTRIBUTE program ENUM_chem_comp_identifier_program NOT NULL , -- ATTRIBUTE program_version TEXT NOT NULL , -- ATTRIBUTE type ENUM_chem_comp_identifier_type NOT NULL ); -- -- (quoted from chem_comp_keywordType) -- Items in the chem_comp_keyword category provide a list of keywords that describe a chemical component. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_keyword -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_comp_keyword ( -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE keyword TEXT NOT NULL ); -- -- (quoted from chem_comp_smilesType) -- Items in the chem_comp_SMILES category define a SMILES string for a chemical component and the type of SMILES string that is provided. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_SMILES -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_comp_smiles ( -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE string TEXT NOT NULL , -- ATTRIBUTE type TEXT NOT NULL ); -- -- (quoted from chem_comp_systematic_nameType) -- Items in the chem_comp_systematic_name category provide a list of systematic names for a chemical component and define the systematic naming systems. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_systematic_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_comp_systematic_name_naming_system CASCADE; CREATE TYPE ENUM_chem_comp_systematic_name_naming_system AS ENUM ( 'IUPAC', 'CAS name', 'CAS registry number', 'BMRB', 'One letter code', 'Three letter code', 'Beilstein', 'Lignin abbreviation' ); CREATE TABLE chem_comp_systematic_name ( name TEXT , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE naming_system ENUM_chem_comp_systematic_name_naming_system NOT NULL ); -- -- (quoted from chem_comp_torType) -- Items in the chem_comp_tor category define the torsion angles in a chemical component. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_comp_tor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_comp_tor ( atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , atom_id_4 TEXT , details TEXT , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_shift_anisotropyType) -- Items in the chem_shift_anisotropy category provide information about a list of reported chemical shift anisotropy values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_anisotropy -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_shift_anisotropy_val_units CASCADE; CREATE TYPE ENUM_chem_shift_anisotropy_val_units AS ENUM ( 'ppm', 'ppb' ); CREATE TABLE chem_shift_anisotropy ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , val_units ENUM_chem_shift_anisotropy_val_units , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_shift_completeness_charType) -- NOT AVAILABLE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shift_completeness_char ( arom_chem_shift_13c_coverage DECIMAL , arom_chem_shift_15n_coverage DECIMAL , arom_chem_shift_1h_coverage DECIMAL , arom_chem_shift_coverage DECIMAL , bb_chem_shift_13c_coverage DECIMAL , bb_chem_shift_15n_coverage DECIMAL , bb_chem_shift_1h_coverage DECIMAL , bb_chem_shift_31p_coverage DECIMAL , bb_chem_shift_coverage DECIMAL , chem_shift_13c_coverage DECIMAL , chem_shift_15n_coverage DECIMAL , chem_shift_1h_coverage DECIMAL , chem_shift_31p_coverage DECIMAL , chem_shift_coverage DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , methyl_chem_shift_13c_coverage DECIMAL , methyl_chem_shift_1h_coverage DECIMAL , methyl_chem_shift_coverage DECIMAL , sc_chem_shift_13c_coverage DECIMAL , sc_chem_shift_15n_coverage DECIMAL , sc_chem_shift_1h_coverage DECIMAL , sc_chem_shift_coverage DECIMAL , sf_id INTEGER , -- ATTRIBUTE assigned_chem_shift_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_shift_completeness_listType) -- NOT AVAILABLE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shift_completeness_list ( arom_chem_shift_13c_fraction TEXT , arom_chem_shift_15n_fraction TEXT , arom_chem_shift_1h_fraction TEXT , arom_chem_shift_fraction TEXT , assigned_residue_coverage DECIMAL , bb_chem_shift_13c_fraction TEXT , bb_chem_shift_15n_fraction TEXT , bb_chem_shift_1h_fraction TEXT , bb_chem_shift_31p_fraction TEXT , bb_chem_shift_fraction TEXT , chem_shift_13c_fraction TEXT , chem_shift_15n_fraction TEXT , chem_shift_1h_fraction TEXT , chem_shift_31p_fraction TEXT , chem_shift_fraction TEXT , electronic_address TEXT , entity_polymer_type TEXT , methyl_chem_shift_13c_fraction TEXT , methyl_chem_shift_1h_fraction TEXT , methyl_chem_shift_fraction TEXT , output_file_name TEXT , -- map XSD date (xsd:date) to SQL DATE queried_date DATE , sc_chem_shift_13c_fraction TEXT , sc_chem_shift_15n_fraction TEXT , sc_chem_shift_1h_fraction TEXT , sc_chem_shift_fraction TEXT , sf_category TEXT , sf_framecode TEXT , sf_id INTEGER , -- ATTRIBUTE assigned_chem_shift_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from chem_shift_experimentType) -- Items in the chem_shift_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported assigned chemical shifts. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_shift_experiment_sample_state CASCADE; CREATE TYPE ENUM_chem_shift_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic' ); CREATE TABLE chem_shift_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_chem_shift_experiment_sample_state , -- ATTRIBUTE assigned_chem_shift_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from chem_shift_isotope_effect_listType) -- Items in the chem_shift_isotope_effect_list category provide information about a list of reported chemical shift values that measure the effects of isotopic substitutions in a molecular entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_isotope_effect_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shift_isotope_effect_list ( details TEXT , isotope_effect_type TEXT , isotope_effect_val_units TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_shift_perturbationType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_perturbation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shift_perturbation ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , chem_shift_val DECIMAL , chem_shift_val_err DECIMAL , comp_id TEXT , comp_index_id INTEGER , difference_chem_shift_val DECIMAL , difference_chem_shift_val_err DECIMAL , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , -- ATTRIBUTE chem_shift_perturbation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_shift_perturbation_experimentType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_perturbation_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_shift_perturbation_experiment_sample_state CASCADE; CREATE TYPE ENUM_chem_shift_perturbation_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE chem_shift_perturbation_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_chem_shift_perturbation_experiment_sample_state , -- ATTRIBUTE chem_shift_perturbation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from chem_shift_perturbation_listType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_perturbation_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_shift_perturbation_list_type CASCADE; CREATE TYPE ENUM_chem_shift_perturbation_list_type AS ENUM ( 'macromolecular binding', 'ligand binding', 'ligand fragment binding', 'paramagnetic ligand binding' ); CREATE TABLE chem_shift_perturbation_list ( chem_shift_ref_set_id INTEGER , chem_shift_ref_set_label TEXT , details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , type ENUM_chem_shift_perturbation_list_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_shift_perturbation_softwareType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_perturbation_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shift_perturbation_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE chem_shift_perturbation_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from chem_shift_refType) -- Items in the chem_shift_ref category provide the chemical shift referencing values used in assigning the chemical shift positions for peaks in spectral peak lists and assigned atom chemical shifts. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_ref -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_shift_ref_chem_shift_units CASCADE; CREATE TYPE ENUM_chem_shift_ref_chem_shift_units AS ENUM ( 'ppm', 'Hz', 'MHz', 'na' ); DROP TYPE IF EXISTS ENUM_chem_shift_ref_external_ref_axis CASCADE; CREATE TYPE ENUM_chem_shift_ref_external_ref_axis AS ENUM ( 'parallel', 'perpendicular', 'magic angle', 'na' ); DROP TYPE IF EXISTS ENUM_chem_shift_ref_external_ref_loc CASCADE; CREATE TYPE ENUM_chem_shift_ref_external_ref_loc AS ENUM ( 'insert at center of experimental sample tube', 'insert at outer edge of experimental sample tube', 'insert at center of a separate sample tube', 'insert at outer edge of a separate sample tube', 'separate tube (no insert) similar to the experimental sample tu', 'separate tube (no insert) not similar to the experimental sampl', 'other' ); DROP TYPE IF EXISTS ENUM_chem_shift_ref_external_ref_sample_geometry CASCADE; CREATE TYPE ENUM_chem_shift_ref_external_ref_sample_geometry AS ENUM ( 'cylindrical', 'spherical', 'other' ); DROP TYPE IF EXISTS ENUM_chem_shift_ref_ref_method CASCADE; CREATE TYPE ENUM_chem_shift_ref_ref_method AS ENUM ( 'internal', 'external', 'na' ); DROP TYPE IF EXISTS ENUM_chem_shift_ref_ref_type CASCADE; CREATE TYPE ENUM_chem_shift_ref_ref_type AS ENUM ( 'direct', 'indirect', 'na' ); DROP TYPE IF EXISTS ENUM_chem_shift_ref_atom_type CASCADE; CREATE TYPE ENUM_chem_shift_ref_atom_type AS ENUM ( 'H', 'C', 'N', 'F', 'P', 'Cd' ); CREATE TABLE chem_shift_ref ( atom_group TEXT , chem_shift_units ENUM_chem_shift_ref_chem_shift_units , chem_shift_val DECIMAL , concentration_units TEXT , concentration_val DECIMAL , correction_val DECIMAL , correction_val_cit_id INTEGER , correction_val_cit_label TEXT , external_ref_axis ENUM_chem_shift_ref_external_ref_axis , external_ref_loc ENUM_chem_shift_ref_external_ref_loc , external_ref_sample_geometry ENUM_chem_shift_ref_external_ref_sample_geometry , indirect_shift_ratio DECIMAL , indirect_shift_ratio_cit_id INTEGER , indirect_shift_ratio_cit_label TEXT , rank TEXT , ref_correction_type TEXT , ref_method ENUM_chem_shift_ref_ref_method , ref_type ENUM_chem_shift_ref_ref_type , solvent TEXT , -- ATTRIBUTE atom_isotope_number INTEGER NOT NULL , -- ATTRIBUTE atom_type ENUM_chem_shift_ref_atom_type NOT NULL , -- ATTRIBUTE chem_shift_reference_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE mol_common_name TEXT NOT NULL ); -- -- (quoted from chem_shift_referenceType) -- Items in the chem_shift_reference category define a set of chemical shift referencing parameters. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_reference -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shift_reference ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_shift_softwareType) -- Items in the chem_shift_software category provide pointers to the software category and methods category. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shift_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shift_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE assigned_chem_shift_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from chem_shifts_calc_softwareType) -- Items in the chem_shifts_calc_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shifts_calc_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chem_shifts_calc_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE chem_shifts_calc_type_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from chem_shifts_calc_typeType) -- Items in the chem_shifts_calc_type category provide information about type of calculation used to derive a set of theoretical chemical shift values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_shifts_calc_type -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_shifts_calc_type_calculation_level CASCADE; CREATE TYPE ENUM_chem_shifts_calc_type_calculation_level AS ENUM ( 'empirical', 'ab initio', 'semi-empirical' ); DROP TYPE IF EXISTS ENUM_chem_shifts_calc_type_chem_shift_nucleus CASCADE; CREATE TYPE ENUM_chem_shifts_calc_type_chem_shift_nucleus AS ENUM ( '1H', '13C', '15N', '31P' ); DROP TYPE IF EXISTS ENUM_chem_shifts_calc_type_quantum_mechanical_method CASCADE; CREATE TYPE ENUM_chem_shifts_calc_type_quantum_mechanical_method AS ENUM ( 'GIAO', 'IGLO', 'CSGT' ); DROP TYPE IF EXISTS ENUM_chem_shifts_calc_type_quantum_mechanical_theory_level CASCADE; CREATE TYPE ENUM_chem_shifts_calc_type_quantum_mechanical_theory_level AS ENUM ( 'B3LYP', 'MP2' ); CREATE TABLE chem_shifts_calc_type ( calculation_level ENUM_chem_shifts_calc_type_calculation_level , chem_shift_nucleus ENUM_chem_shifts_calc_type_chem_shift_nucleus , chem_shift_reference_id INTEGER , chem_shift_reference_label TEXT , details TEXT , modeled_sample_cond_list_id INTEGER , modeled_sample_cond_list_label TEXT , name TEXT , quantum_mechanical_basis_set TEXT , quantum_mechanical_method ENUM_chem_shifts_calc_type_quantum_mechanical_method , quantum_mechanical_theory_level ENUM_chem_shifts_calc_type_quantum_mechanical_theory_level , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chem_struct_descriptorType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chem_struct_descriptor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chem_struct_descriptor_descriptor CASCADE; CREATE TYPE ENUM_chem_struct_descriptor_descriptor AS ENUM ( 'alcohol', 'aldehyde', 'alkyne', 'alkene', 'alkane', 'amide', 'carboxylic acid', 'ester', 'ether', 'ketone', 'amine', 'nitrile', 'primary amine', 'secondary amine', 'teritary amine', 'thiol', 'three carbon ring', 'four carbon ring', 'five carbon ring', 'six carbon ring', 'seven carbon ring', 'eight carbon ring', 'three member heterocycle', 'four member heterocycle', 'five member heterocycle', 'six member heterocycle', 'seven member heterocycle', 'eight member heterocycle', 'benzyl group', 'phenyl group', 'phenol', 'imidazole', 'beta lactam', 'methyl', 'methylene' ); DROP TYPE IF EXISTS ENUM_chem_struct_descriptor_type CASCADE; CREATE TYPE ENUM_chem_struct_descriptor_type AS ENUM ( 'linkage', 'chemical fragment', 'functional group' ); CREATE TABLE chem_struct_descriptor ( count INTEGER , descriptor ENUM_chem_struct_descriptor_descriptor , sf_id INTEGER , software_id INTEGER , software_label TEXT , type ENUM_chem_struct_descriptor_type , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chemical_rateType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chemical_rate -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chemical_rate ( assembly_atom_id INTEGER , assembly_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , val_max DECIMAL , val_min DECIMAL , val_type TEXT , val_units TEXT , -- ATTRIBUTE chemical_rate_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chemical_rate_experimentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chemical_rate_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_chemical_rate_experiment_sample_state CASCADE; CREATE TYPE ENUM_chemical_rate_experiment_sample_state AS ENUM ( 'anisotropic', 'isotropic' ); CREATE TABLE chemical_rate_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_chemical_rate_experiment_sample_state , -- ATTRIBUTE chemical_rate_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from chemical_rate_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chemical_rate_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chemical_rate_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chemical_rate_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chemical_rate_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chemical_rate_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE chemical_rate_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from chromatographic_columnType) -- Items in the chromatographic_column category record the characteristics of a column used in a chromatographic system for separating chemical compounds. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chromatographic_column -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chromatographic_column ( length DECIMAL , name TEXT , packing_material TEXT , packing_material_pore_size DECIMAL , sf_category TEXT , sf_framecode TEXT , type TEXT , vendor TEXT , width DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from chromatographic_systemType) -- Items in the chromatographic_system category record the information describing a chromatographic system used in separating chemical compounds. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Chromatographic_system -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE chromatographic_system ( autosampler_manufacturer TEXT , autosampler_model TEXT , autosampler_serial_number TEXT , col_compartment_manufacturer TEXT , col_compartment_model TEXT , col_compartment_serial_number TEXT , details TEXT , name TEXT , pump_manufacturer TEXT , pump_model TEXT , pump_serial_number TEXT , sf_category TEXT , sf_framecode TEXT , type TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from citationType) -- Items in the citation category capture information common to all citations. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_citation_class CASCADE; CREATE TYPE ENUM_citation_class AS ENUM ( 'entry citation', 'reference citation' ); DROP TYPE IF EXISTS ENUM_citation_status CASCADE; CREATE TYPE ENUM_citation_status AS ENUM ( 'in preparation', 'submitted', 'in press', 'published', 'retracted', 'na' ); DROP TYPE IF EXISTS ENUM_citation_type CASCADE; CREATE TYPE ENUM_citation_type AS ENUM ( 'journal', 'book', 'book chapter', 'thesis', 'abstract', 'personal communication', 'internet', 'BMRB only', 'other publication' ); CREATE TABLE citation ( book_chapter_title TEXT , book_isbn TEXT , book_publisher TEXT , book_publisher_city TEXT , book_series TEXT , book_title TEXT , book_volume TEXT , cas_abstract_code TEXT , class ENUM_citation_class , conference_abstract_number TEXT , conference_country TEXT , -- map XSD date (xsd:date) to SQL DATE conference_end_date DATE , conference_site TEXT , -- map XSD date (xsd:date) to SQL DATE conference_start_date DATE , conference_state_province TEXT , conference_title TEXT , details TEXT , doi TEXT , full_citation TEXT , journal_abbrev TEXT , journal_astm TEXT , journal_csd TEXT , journal_issn TEXT , journal_issue TEXT , journal_name_full TEXT , journal_volume TEXT , medline_ui_code TEXT , name TEXT , page_first TEXT , page_last TEXT , pubmed_id TEXT , sf_category TEXT , sf_framecode TEXT , status ENUM_citation_status , thesis_institution TEXT , thesis_institution_city TEXT , thesis_institution_country TEXT , title TEXT , type ENUM_citation_type , www_url TEXT , year TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from citation_authorType) -- Items in the citation_author category define the authors and the order of the names for a citation. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Citation_author -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_citation_author_family_title CASCADE; CREATE TYPE ENUM_citation_author_family_title AS ENUM ( 'Sr.', 'Jr.', 'I', 'II', 'III', 'IV', 'V' ); CREATE TABLE citation_author ( family_name TEXT , family_title ENUM_citation_author_family_title , first_initial TEXT , given_name TEXT , middle_initials TEXT , orcid TEXT , pdbx_name TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE ordinal INTEGER NOT NULL ); -- -- (quoted from citation_editorType) -- Items in the citation_editor category define the editors and the order of the names for a citation. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Citation_editor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_citation_editor_family_title CASCADE; CREATE TYPE ENUM_citation_editor_family_title AS ENUM ( 'Sr.', 'Jr.', 'I', 'II', 'III', 'IV', 'V' ); CREATE TABLE citation_editor ( family_name TEXT , family_title ENUM_citation_editor_family_title , first_initial TEXT , given_name TEXT , middle_initials TEXT , pdbx_name TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE ordinal INTEGER NOT NULL ); -- -- (quoted from citation_keywordType) -- Items in the citation_keyword category capture keywords that describe the contents of a citation. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Citation_keyword -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE citation_keyword ( -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE keyword TEXT NOT NULL ); -- -- (quoted from computerType) -- Items in the computer category describe a computer. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Computer -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_computer_operating_system CASCADE; CREATE TYPE ENUM_computer_operating_system AS ENUM ( 'IRIX', 'UNIX', 'Linux', 'DOS', 'NT', 'Windows VISTA', 'Windows 2000', 'Windows XP' ); CREATE TABLE computer ( details TEXT , hardware_code TEXT , manufacturer TEXT , model TEXT , name TEXT , operating_system ENUM_computer_operating_system , operating_system_version TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from computer_citationType) -- Items in the computer_citation category provide pointers to the citation category. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Computer_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE computer_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE computer_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from conf_family_coord_set_constr_listType) -- Items in the conf_family_coord_set_constr_list category provide pointers to the sets of constraints that were used to calculate the reported family of conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conf_family_coord_set_constr_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE conf_family_coord_set_constr_list ( constraint_list_label TEXT , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE constraint_list_category TEXT NOT NULL , -- ATTRIBUTE constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from conf_stats_softwareType) -- Items in the conf_stats_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conf_stats_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE conf_stats_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE conformer_stat_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from conformer_family_coord_setType) -- Items in the conformer_family_coord_set category provide meta data regarding the atomic coordinates for a family of conformers reported in an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conformer_family_coord_set -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE conformer_family_coord_set ( atom_site_ordered_flag_desc TEXT , atom_site_uncertainty_desc TEXT , constraints_pdb_file_id TEXT , details TEXT , file_name TEXT , name TEXT , pdb_accession_code TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from conformer_family_coord_set_exptType) -- Items in the conformer_family_coord_set_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of molecular conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conformer_family_coord_set_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_conformer_family_coord_set_expt_sample_state CASCADE; CREATE TYPE ENUM_conformer_family_coord_set_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE conformer_family_coord_set_expt ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_conformer_family_coord_set_expt_sample_state , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from conformer_family_refinementType) -- Items in the conformer_family_refinement category define the refinement methods used in calculating the reported family of conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conformer_family_refinement -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_conformer_family_refinement_refine_method CASCADE; CREATE TYPE ENUM_conformer_family_refinement_refine_method AS ENUM ( 'DGSA-distance geometry simulated annealing', 'distance geometry', 'simulated annealing', 'molecular dynamics', 'matrix relaxation', 'torsion angle dynamics', 'na' ); CREATE TABLE conformer_family_refinement ( refine_details TEXT , software_id INTEGER , software_label TEXT , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE refine_method ENUM_conformer_family_refinement_refine_method NOT NULL ); -- -- (quoted from conformer_family_softwareType) -- Items in the conformer_family_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conformer_family_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE conformer_family_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from conformer_stat_listType) -- Items in the conformer_stat_list category provide information about a list of reported statistics derived from a set of conformers calculated for a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conformer_stat_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_conformer_stat_list_conformer_selection_criteria CASCADE; CREATE TYPE ENUM_conformer_stat_list_conformer_selection_criteria AS ENUM ( 'all calculated structures submitted', 'back calculated data agree with experimental NOESY spectrum', 'structures with the lowest energy', 'structures with the least restraint violations', 'structures with acceptable covalent geometry', 'structures with favorable non-bond energy', 'target function', 'na' ); DROP TYPE IF EXISTS ENUM_conformer_stat_list_rep_conformer_selection_criteria CASCADE; CREATE TYPE ENUM_conformer_stat_list_rep_conformer_selection_criteria AS ENUM ( 'closest to the average', 'lowest energy', 'fewest violations', 'minimized average structure', 'na' ); CREATE TABLE conformer_stat_list ( conf_family_coord_set_id INTEGER , conf_family_coord_set_label TEXT , conformer_calculated_total_num INTEGER , conformer_selection_criteria ENUM_conformer_stat_list_conformer_selection_criteria , conformer_submitted_total_num INTEGER , details TEXT , name TEXT , original_conformer_stats_file_id INTEGER , rep_conformer_selection_criteria ENUM_conformer_stat_list_rep_conformer_selection_criteria , representative_conformer INTEGER , representative_conformer_id INTEGER , representative_conformer_label TEXT , sf_category TEXT , sf_framecode TEXT , statistical_struct_param_details TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from conformer_stat_list_ensType) -- Items in the conformer_stat_list_ens category provide statistical measures describing the characteristics and quality of the ensemble of conformers provided in the entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conformer_stat_list_ens -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_conformer_stat_list_ens_stats_not_available CASCADE; CREATE TYPE ENUM_conformer_stat_list_ens_stats_not_available AS ENUM ( 'yes', 'no' ); CREATE TABLE conformer_stat_list_ens ( all_hvy_atm_coord_avg_rmsd DECIMAL , all_hvy_atm_coord_avg_rmsd_err DECIMAL , all_hvy_atm_coord_std_dev DECIMAL , all_hvy_atm_coord_std_dev_err DECIMAL , all_hvy_atm_exclusions TEXT , all_hvy_atm_residues_included TEXT , angle_e_value DECIMAL , angle_e_value_err DECIMAL , atm_coord_avg_rmsd_calc_method DECIMAL , bb_hvy_atm_coord_avg_rmsd DECIMAL , bb_hvy_atm_coord_avg_rmsd_err DECIMAL , bb_hvy_atm_coord_std_dev DECIMAL , bb_hvy_atm_coord_std_dev_err DECIMAL , bb_hvy_atm_exclusions TEXT , bb_hvy_atm_residues_included TEXT , bond_angle_rmsd DECIMAL , bond_angle_rmsd_err DECIMAL , bond_e_value DECIMAL , bond_e_value_err DECIMAL , covalent_bond_rmsd DECIMAL , covalent_bond_rmsd_err DECIMAL , dihedral_angle_rmsd DECIMAL , dihedral_angle_rmsd_err DECIMAL , improper_e_value DECIMAL , improper_e_value_err DECIMAL , improper_torsion_angle_rmsd DECIMAL , improper_torsion_angle_rmsd_err DECIMAL , lennard_jones_e_value DECIMAL , lennard_jones_e_value_err DECIMAL , ncs_e_value DECIMAL , ncs_e_value_err DECIMAL , peptide_planarity_rmsd DECIMAL , peptide_planarity_rmsd_err DECIMAL , ramachan_allowed_pct DECIMAL , ramachan_disallowed_pct DECIMAL , ramachan_gen_allowed_pct DECIMAL , ramachan_most_favored_pct DECIMAL , sc_hvy_atm_coord_avg_rmsd DECIMAL , sc_hvy_atm_coord_avg_rmsd_err DECIMAL , sc_hvy_atm_coord_std_dev DECIMAL , sc_hvy_atm_coord_std_dev_err DECIMAL , sc_hvy_atm_exclusions TEXT , sc_hvy_atm_residues_included TEXT , stats_not_available ENUM_conformer_stat_list_ens_stats_not_available , torsional_angle_e_value DECIMAL , torsional_angle_e_value_err DECIMAL , total_e_value_ DECIMAL , total_e_value_err DECIMAL , van_der_waals_e_value DECIMAL , van_der_waals_e_value_err DECIMAL , -- ATTRIBUTE conformer_stat_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from conformer_stat_list_repType) -- Items in the conformer_stat_list_rep category provide statistical measures describing the characteristics and quality of the representative structure provided in the entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Conformer_stat_list_rep -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_conformer_stat_list_rep_stats_not_available CASCADE; CREATE TYPE ENUM_conformer_stat_list_rep_stats_not_available AS ENUM ( 'yes', 'no' ); CREATE TABLE conformer_stat_list_rep ( angle_e_value DECIMAL , angle_e_value_err DECIMAL , angle_rmsd DECIMAL , angle_rmsd_err DECIMAL , bond_e_value DECIMAL , bond_e_value_err DECIMAL , bond_rmsd DECIMAL , bond_rmsd_err DECIMAL , improper_torsion_angle_rmsd DECIMAL , improper_torsion_angle_rmsd_err DECIMAL , impropers_e_value DECIMAL , impropers_e_value_err DECIMAL , lennard_jones_e_value DECIMAL , lennard_jones_e_value_err DECIMAL , ncs_e_value DECIMAL , ncs_e_value_err DECIMAL , noe_e_value DECIMAL , noe_e_value_err DECIMAL , peptide_planarity_rmsd DECIMAL , peptide_planarity_rmsd_err DECIMAL , ramachan_allowed_pct DECIMAL , ramachan_disallowed_pct DECIMAL , ramachan_gen_allowed_pct DECIMAL , ramachan_most_favored_pct DECIMAL , stats_not_available ENUM_conformer_stat_list_rep_stats_not_available , struct_figure_of_merit DECIMAL , struct_figure_of_merit_func_form TEXT , torsional_e_value DECIMAL , torsional_e_value_err DECIMAL , total_e_value DECIMAL , total_e_value_err DECIMAL , van_der_waals_e_val DECIMAL , van_der_waals_e_val_err DECIMAL , -- ATTRIBUTE conformer_stat_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from constraint_fileType) -- Items in the constraint_file category record the name of the constraint file, the software used to calculate conformers with the constraint file, and the characteristics of the constraints in the constraint file. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Constraint_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_constraint_file_constraint_subsubtype CASCADE; CREATE TYPE ENUM_constraint_file_constraint_subsubtype AS ENUM ( 'ambi', 'simple', 'na' ); DROP TYPE IF EXISTS ENUM_constraint_file_constraint_subtype CASCADE; CREATE TYPE ENUM_constraint_file_constraint_subtype AS ENUM ( 'Not applicable', 'NOE', 'NOE buildup', 'NOE not seen', 'general distance', 'alignment tensor', 'chirality', 'prochirality', 'disulfide bond', 'hydrogen bond', 'symmetry', 'ROE', 'peptide', 'ring', 'PRE', 'na' ); DROP TYPE IF EXISTS ENUM_constraint_file_constraint_type CASCADE; CREATE TYPE ENUM_constraint_file_constraint_type AS ENUM ( 'distance', 'dipolar coupling', 'protein dihedral angle', 'nucleic acid dihedral angle', 'coupling constant', 'chemical shift', 'other angle', 'chemical shift anisotropy', 'hydrogen exchange', 'line broadening', 'pseudocontact shift', 'intervector projection angle', 'protein peptide planarity', 'protein other kinds of constraints', 'nucleic acid base planarity', 'nucleic acid other kinds of constraints', 'na' ); CREATE TABLE constraint_file ( block_id INTEGER , constraint_number INTEGER , constraint_subsubtype ENUM_constraint_file_constraint_subsubtype , id INTEGER , software_id INTEGER , software_label TEXT , software_name TEXT , -- ATTRIBUTE constraint_filename TEXT NOT NULL , -- ATTRIBUTE constraint_stat_list_id INTEGER NOT NULL , -- ATTRIBUTE constraint_subtype ENUM_constraint_file_constraint_subtype NOT NULL , -- ATTRIBUTE constraint_type ENUM_constraint_file_constraint_type NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from constraint_stat_listType) -- Items in the constraint_stat_list category provide information about a list of reported constraint statistics derived from the constraints used to calculate the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Constraint_stat_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_constraint_stat_list_dist_constr_violat_stat_calc_method CASCADE; CREATE TYPE ENUM_constraint_stat_list_dist_constr_violat_stat_calc_method AS ENUM ( 'calculated over all distance constraints', 'calculated for distance violations only' ); DROP TYPE IF EXISTS ENUM_constraint_stat_list_noe_dist_averaging_method CASCADE; CREATE TYPE ENUM_constraint_stat_list_noe_dist_averaging_method AS ENUM ( 'r-6', 'r-3', 'sum', 'center' ); DROP TYPE IF EXISTS ENUM_constraint_stat_list_noe_interproton_dist_evaluation CASCADE; CREATE TYPE ENUM_constraint_stat_list_noe_interproton_dist_evaluation AS ENUM ( 'Tryptophan ring proton NOE intensities', 'Glycine alpha proton NOE intensities' ); DROP TYPE IF EXISTS ENUM_constraint_stat_list_noe_pseudoatom_corrections CASCADE; CREATE TYPE ENUM_constraint_stat_list_noe_pseudoatom_corrections AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_constraint_stat_list_roe_dist_averaging_method CASCADE; CREATE TYPE ENUM_constraint_stat_list_roe_dist_averaging_method AS ENUM ( 'r-6', 'r-3', 'sum', 'center' ); DROP TYPE IF EXISTS ENUM_constraint_stat_list_roe_interproton_dist_evaluation CASCADE; CREATE TYPE ENUM_constraint_stat_list_roe_interproton_dist_evaluation AS ENUM ( 'Tryptophan ring proton NOE intensities', 'Glycine alpha proton NOE intensities' ); DROP TYPE IF EXISTS ENUM_constraint_stat_list_roe_pseudoatom_corrections CASCADE; CREATE TYPE ENUM_constraint_stat_list_roe_pseudoatom_corrections AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_constraint_stat_list_stats_not_available CASCADE; CREATE TYPE ENUM_constraint_stat_list_stats_not_available AS ENUM ( 'yes', 'no' ); CREATE TABLE constraint_stat_list ( assumed_angles_tot_num INTEGER , assumed_distances_tot_num INTEGER , constr_def_h_bonds_tot_num INTEGER , constr_def_ss_bonds_tot_num INTEGER , constr_violations_per_residue_avg DECIMAL , constraints_per_residue_avg DECIMAL , derived_1h_chem_shifts_tot_num INTEGER , derived_cacb_chem_shift_tot_num INTEGER , derived_coupling_const_tot_num INTEGER , derived_paramag_relax_tot_num INTEGER , derived_photo_cidnps_tot_num INTEGER , details TEXT , dihedral_angle_tot_num INTEGER , dist_constr_violat_stat_calc_method ENUM_constraint_stat_list_dist_constr_violat_stat_calc_method , h_bonds_constrained_tot_num INTEGER , na_alpha_angle_tot_num INTEGER , na_amb_dihedral_angle_tot_num INTEGER , na_beta_angle_tot_num INTEGER , na_chi_angle_tot_num INTEGER , na_delta_angle_tot_num INTEGER , na_dihedral_angle_tot_num INTEGER , na_epsilon_angle_tot_num INTEGER , na_gamma_angle_tot_num INTEGER , na_other_angle_tot_num INTEGER , na_other_tot_num INTEGER , na_sugar_pucker_tot_num INTEGER , name TEXT , noe_ambig_intermol_tot_num INTEGER , noe_ambig_intramol_tot_num INTEGER , noe_dist_averaging_method ENUM_constraint_stat_list_noe_dist_averaging_method , noe_interentity_tot_num INTEGER , noe_interproton_dist_evaluation ENUM_constraint_stat_list_noe_interproton_dist_evaluation , noe_intraresidue_tot_num INTEGER , noe_intraresidue_unique_tot_num INTEGER , noe_long_range_tot_num INTEGER , noe_long_range_unique_tot_num INTEGER , noe_medium_range_tot_num INTEGER , noe_medium_range_unique_tot_num INTEGER , noe_other_tot_num INTEGER , noe_pseudoatom_corrections ENUM_constraint_stat_list_noe_pseudoatom_corrections , noe_sequential_tot_num INTEGER , noe_sequential_unique_tot_num INTEGER , noe_tot_num INTEGER , noe_unamb_intermol_tot_num INTEGER , noe_unamb_intramol_tot_num INTEGER , noe_unique_tot_num INTEGER , protein_ambig_dihedral_tot_num INTEGER , protein_chi_one_angle_tot_num INTEGER , protein_dihedral_angle_tot_num INTEGER , protein_other_angle_tot_num INTEGER , protein_other_tot_num INTEGER , protein_phi_angle_tot_num INTEGER , protein_psi_angle_tot_num INTEGER , rdc_ambig_intermol_tot_num INTEGER , rdc_ambig_intramol_tot_num INTEGER , rdc_cac_tot_num INTEGER , rdc_caha_tot_num INTEGER , rdc_can_tot_num INTEGER , rdc_cc_tot_num INTEGER , rdc_cn_i_1_tot_num INTEGER , rdc_hh_tot_num INTEGER , rdc_hnc_tot_num INTEGER , rdc_hnha_i_1_tot_num INTEGER , rdc_hnha_tot_num INTEGER , rdc_intermol_tot_num INTEGER , rdc_intraresidue_tot_num INTEGER , rdc_long_range_tot_num INTEGER , rdc_medium_range_tot_num INTEGER , rdc_nh_tot_num INTEGER , rdc_other_tot_num INTEGER , rdc_sequential_tot_num INTEGER , rdc_tot_num INTEGER , rdc_unambig_intermol_tot_num INTEGER , rdc_unambig_intramol_tot_num INTEGER , roe_ambig_intermol_tot_num INTEGER , roe_ambig_intramol_tot_num INTEGER , roe_dist_averaging_method ENUM_constraint_stat_list_roe_dist_averaging_method , roe_interproton_dist_evaluation ENUM_constraint_stat_list_roe_interproton_dist_evaluation , roe_intraresidue_tot_num INTEGER , roe_long_range_tot_num INTEGER , roe_medium_range_tot_num INTEGER , roe_other_tot_num INTEGER , roe_pseudoatom_corrections ENUM_constraint_stat_list_roe_pseudoatom_corrections , roe_sequential_tot_num INTEGER , roe_tot_num INTEGER , roe_unambig_intermol_tot_num INTEGER , roe_unambig_intramol_tot_num INTEGER , sf_category TEXT , sf_framecode TEXT , ss_bonds_constrained_tot_num INTEGER , stats_not_available ENUM_constraint_stat_list_stats_not_available , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from constraint_stat_list_ensType) -- Items in the constraint_stat_list_ens category record statistical information about the constraints used to calculate the reported ensemble of conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Constraint_stat_list_ens -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_constraint_stat_list_ens_constraint_stats_not_available CASCADE; CREATE TYPE ENUM_constraint_stat_list_ens_constraint_stats_not_available AS ENUM ( 'yes', 'no' ); CREATE TABLE constraint_stat_list_ens ( all_dist_rmsd DECIMAL , all_dist_rmsd_err DECIMAL , amb_intermol_dist_rmsd DECIMAL , amb_intermol_dist_rmsd_err DECIMAL , amb_intramol_dist_rmsd DECIMAL , amb_intramol_dist_rmsd_err DECIMAL , constraint_stats_not_available ENUM_constraint_stat_list_ens_constraint_stats_not_available , dihedral_angle_rmsd DECIMAL , dihedral_angle_rmsd_err DECIMAL , dihedral_const_stat_calc_meth TEXT , dihedral_const_violat_avg DECIMAL , dihedral_const_violat_max DECIMAL , dipolar_13c_13c_rmsd DECIMAL , dipolar_13c_13c_rmsd_err DECIMAL , dipolar_1h_13c_rmsd DECIMAL , dipolar_1h_13c_rmsd_err DECIMAL , dipolar_1h_15n_rmsd DECIMAL , dipolar_1h_15n_rmsd_err DECIMAL , dipolar_1h_1h_rmsd DECIMAL , dipolar_1h_1h_rmsd_err DECIMAL , dist_constraint_violation_avg DECIMAL , dist_constraint_violation_max DECIMAL , hydrogen_bond_rmsd DECIMAL , hydrogen_bond_rmsd_err DECIMAL , intraresidue_dist_rmsd DECIMAL , intraresidue_dist_rmsd_err DECIMAL , long_range_dist_rmsd DECIMAL , long_range_dist_rmsd_err DECIMAL , lower_dist_constr_violat_max DECIMAL , sequential_dist_rmsd DECIMAL , sequential_dist_rmsd_err DECIMAL , short_range_dist_rmsd DECIMAL , short_range_dist_rmsd_err DECIMAL , unamb_intermol_dist_rmsd DECIMAL , unamb_intermol_dist_rmsd_err DECIMAL , upper_dist_constr_violat_max DECIMAL , -- ATTRIBUTE constraint_stat_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from constraint_stat_list_repType) -- Items in the constraint_stat_list_rep category record statistical information about the constraints in relation to the reported representative conformer. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Constraint_stat_list_rep -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_constraint_stat_list_rep_constraint_stats_not_available CASCADE; CREATE TYPE ENUM_constraint_stat_list_rep_constraint_stats_not_available AS ENUM ( 'yes', 'no' ); CREATE TABLE constraint_stat_list_rep ( amb_intermol_dist_rmsd DECIMAL , amb_intermol_dist_rmsd_err DECIMAL , amb_intramol_dist_rmsd DECIMAL , amb_intramol_dist_rmsd_err DECIMAL , constraint_stats_not_available ENUM_constraint_stat_list_rep_constraint_stats_not_available , dihedral_angle_rmsd DECIMAL , dihedral_angle_rmsd_err DECIMAL , dipolar_13c_13c_rmsd DECIMAL , dipolar_13c_13c_rmsd_err DECIMAL , dipolar_1h_13c_rmsd DECIMAL , dipolar_1h_13c_rmsd_err DECIMAL , dipolar_1h_15n_rmsd DECIMAL , dipolar_1h_15n_rmsd_err DECIMAL , dipolar_1h_1h_rmsd DECIMAL , dipolar_1h_1h_rmsd_err DECIMAL , dist_constraint_viol_max DECIMAL , dist_constraint_violation_avg DECIMAL , hydrogen_bond_rmsd DECIMAL , hydrogen_bond_rmsd_err DECIMAL , intraresidue_dist_rmsd DECIMAL , intraresidue_dist_rmsd_err DECIMAL , long_range_dist_rmsd DECIMAL , long_range_dist_rmsd_err DECIMAL , lower_dist_constr_violat_max DECIMAL , sequential_dist_rmsd DECIMAL , sequential_dist_rmsd_err DECIMAL , short_range_dist_rmsd DECIMAL , short_range_dist_rmsd_err DECIMAL , unamb_intermol_dist_rmsd DECIMAL , unamb_intermol_dist_rmsd_err DECIMAL , upper_dist_constr_violat_max DECIMAL , -- ATTRIBUTE constraint_stat_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from constraint_stats_constr_listType) -- Items in the constraint_stats_constr_list category define the sets of constraints used to calculate the statistical values reported. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Constraint_stats_constr_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE constraint_stats_constr_list ( constraint_list_label TEXT , -- ATTRIBUTE constraint_list_category TEXT NOT NULL , -- ATTRIBUTE constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE constraint_stat_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from coupling_constantType) -- Items in the coupling_constant category describe the scalar coupling constants values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Coupling_constant -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE coupling_constant ( ambiguity_code_1 TEXT , ambiguity_code_2 TEXT , assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , code TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , details TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , val_max DECIMAL , val_min DECIMAL , -- ATTRIBUTE coupling_constant_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from coupling_constant_experimentType) -- Items in the coupling_constant_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported scalar coupling constants. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Coupling_constant_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_coupling_constant_experiment_sample_state CASCADE; CREATE TYPE ENUM_coupling_constant_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE coupling_constant_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_coupling_constant_experiment_sample_state , -- ATTRIBUTE coupling_constant_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from coupling_constant_listType) -- Items in the coupling_constant_list category provide information about a list of reported scalar coupling constant values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Coupling_constant_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_coupling_constant_list_spectrometer_frequency_1h CASCADE; CREATE TYPE ENUM_coupling_constant_list_spectrometer_frequency_1h AS ENUM ( '400', '500', '600', '700', '750', '800', '850', '900', '920', '950', '1000', '1100' ); CREATE TABLE coupling_constant_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h ENUM_coupling_constant_list_spectrometer_frequency_1h , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from coupling_constant_softwareType) -- Items in the coupling_constant_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Coupling_constant_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE coupling_constant_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE coupling_constant_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_d_csaType) -- Items in the cross_correlation_D_CSA category describe the dipole-chemical shift anisotropy cross-correlation values assigned to a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_D_CSA -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE cross_correlation_d_csa ( csa_assembly_atom_id_1 INTEGER , csa_assembly_atom_id_2 INTEGER , csa_atom_id_1 TEXT , csa_atom_id_2 TEXT , csa_atom_isotope_number_1 INTEGER , csa_atom_isotope_number_2 INTEGER , csa_atom_type_1 TEXT , csa_atom_type_2 TEXT , csa_auth_atom_id_1 TEXT , csa_auth_atom_id_2 TEXT , csa_auth_comp_id_1 TEXT , csa_auth_comp_id_2 TEXT , csa_auth_entity_assembly_id_1 TEXT , csa_auth_entity_assembly_id_2 TEXT , csa_auth_seq_id_1 TEXT , csa_auth_seq_id_2 TEXT , csa_comp_id_1 TEXT , csa_comp_id_2 TEXT , csa_comp_index_id_1 INTEGER , csa_comp_index_id_2 INTEGER , csa_entity_assembly_id_1 INTEGER , csa_entity_assembly_id_2 INTEGER , csa_entity_id_1 INTEGER , csa_entity_id_2 INTEGER , csa_resonance_id_1 INTEGER , csa_resonance_id_2 INTEGER , csa_seq_id_1 INTEGER , csa_seq_id_2 INTEGER , dipole_assembly_atom_id_1 INTEGER , dipole_assembly_atom_id_2 INTEGER , dipole_atom_id_1 TEXT , dipole_atom_id_2 TEXT , dipole_atom_isotope_number_1 INTEGER , dipole_atom_isotope_number_2 INTEGER , dipole_atom_type_1 TEXT , dipole_atom_type_2 TEXT , dipole_auth_atom_id_1 TEXT , dipole_auth_atom_id_2 TEXT , dipole_auth_comp_id_1 TEXT , dipole_auth_comp_id_2 TEXT , dipole_auth_entity_assembly_id_1 TEXT , dipole_auth_entity_assembly_id_2 TEXT , dipole_auth_seq_id_1 TEXT , dipole_auth_seq_id_2 TEXT , dipole_comp_id_1 TEXT , dipole_comp_id_2 TEXT , dipole_comp_index_id_1 INTEGER , dipole_comp_index_id_2 INTEGER , dipole_entity_assembly_id_1 INTEGER , dipole_entity_assembly_id_2 INTEGER , dipole_entity_id_1 INTEGER , dipole_entity_id_2 INTEGER , dipole_resonance_id_1 INTEGER , dipole_resonance_id_2 INTEGER , dipole_seq_id_1 INTEGER , dipole_seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE cross_correlation_d_csa_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_d_csa_experimentType) -- Items in the cross_correlation_D_CSA_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported cross-correlation dipole chemical shift anisotropy data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_D_CSA_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_cross_correlation_d_csa_experiment_sample_state CASCADE; CREATE TYPE ENUM_cross_correlation_d_csa_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE cross_correlation_d_csa_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_cross_correlation_d_csa_experiment_sample_state , -- ATTRIBUTE cross_correlation_d_csa_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_d_csa_listType) -- Items in the cross_correlation_D_CSA_list category provide information about a list of reported dipole-chemical shift anisotropy cross correlation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_D_CSA_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_cross_correlation_d_csa_list_val_units CASCADE; CREATE TYPE ENUM_cross_correlation_d_csa_list_val_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); CREATE TABLE cross_correlation_d_csa_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , val_units ENUM_cross_correlation_d_csa_list_val_units , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_d_csa_softwareType) -- Items in the cross_correlation_D_CSA_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_D_CSA_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE cross_correlation_d_csa_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE cross_correlation_d_csa_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_ddType) -- Items in the cross_correlation_DD category describe the dipole-dipole cross-correlation values assigned to a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_DD -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE cross_correlation_dd ( dipole_1_assembly_atom_id_1 INTEGER , dipole_1_assembly_atom_id_2 INTEGER , dipole_1_atom_id_1 TEXT , dipole_1_atom_id_2 TEXT , dipole_1_atom_isotope_number_1 INTEGER , dipole_1_atom_isotope_number_2 INTEGER , dipole_1_atom_type_1 TEXT , dipole_1_atom_type_2 TEXT , dipole_1_auth_atom_id_1 TEXT , dipole_1_auth_atom_id_2 TEXT , dipole_1_auth_comp_id_1 TEXT , dipole_1_auth_comp_id_2 TEXT , dipole_1_auth_entity_assembly_id_1 TEXT , dipole_1_auth_entity_assembly_id_2 TEXT , dipole_1_auth_seq_id_1 TEXT , dipole_1_auth_seq_id_2 TEXT , dipole_1_comp_id_1 TEXT , dipole_1_comp_id_2 TEXT , dipole_1_comp_index_id_1 INTEGER , dipole_1_comp_index_id_2 INTEGER , dipole_1_entity_assembly_id_1 INTEGER , dipole_1_entity_assembly_id_2 INTEGER , dipole_1_entity_id_1 INTEGER , dipole_1_entity_id_2 INTEGER , dipole_1_resonance_id_1 INTEGER , dipole_1_resonance_id_2 INTEGER , dipole_1_seq_id_1 INTEGER , dipole_1_seq_id_2 INTEGER , dipole_2_assembly_atom_id_1 INTEGER , dipole_2_assembly_atom_id_2 INTEGER , dipole_2_atom_id_1 TEXT , dipole_2_atom_id_2 TEXT , dipole_2_atom_isotope_number_1 INTEGER , dipole_2_atom_isotope_number_2 INTEGER , dipole_2_atom_type_1 TEXT , dipole_2_atom_type_2 TEXT , dipole_2_auth_atom_id_1 TEXT , dipole_2_auth_atom_id_2 TEXT , dipole_2_auth_comp_id_1 TEXT , dipole_2_auth_comp_id_2 TEXT , dipole_2_auth_entity_assembly_id_1 TEXT , dipole_2_auth_entity_assembly_id_2 TEXT , dipole_2_auth_seq_id_1 TEXT , dipole_2_auth_seq_id_2 TEXT , dipole_2_chem_comp_index_id_2 INTEGER , dipole_2_comp_id_1 TEXT , dipole_2_comp_id_2 TEXT , dipole_2_comp_index_id_1 INTEGER , dipole_2_entity_assembly_id_1 INTEGER , dipole_2_entity_assembly_id_2 INTEGER , dipole_2_entity_id_1 INTEGER , dipole_2_entity_id_2 INTEGER , dipole_2_resonance_id_1 INTEGER , dipole_2_resonance_id_2 INTEGER , dipole_2_seq_id_1 INTEGER , dipole_2_seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE cross_correlation_dd_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_dd_experimentType) -- Items in the cross_correlation_DD_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported cross-correlation dipole-dipole relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_DD_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_cross_correlation_dd_experiment_sample_state CASCADE; CREATE TYPE ENUM_cross_correlation_dd_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE cross_correlation_dd_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_cross_correlation_dd_experiment_sample_state , -- ATTRIBUTE cross_correlation_dd_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_dd_listType) -- Items in the cross_correlation_DD_list category provide information about a list of reported dipole-dipole cross correlation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_DD_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_cross_correlation_dd_list_val_units CASCADE; CREATE TYPE ENUM_cross_correlation_dd_list_val_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); CREATE TABLE cross_correlation_dd_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , val_units ENUM_cross_correlation_dd_list_val_units , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from cross_correlation_dd_softwareType) -- Items in the cross_correlation_DD_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Cross_correlation_DD_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE cross_correlation_dd_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE cross_correlation_dd_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from cs_anisotropyType) -- Items in the CS_anisotropy category describe the chemical shift anisotropy values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=CS_anisotropy -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE cs_anisotropy ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , bond_length DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , principal_euler_angle_alpha_val DECIMAL , principal_euler_angle_beta_val DECIMAL , principal_euler_angle_gamma_val DECIMAL , principal_value_sigma_11_val DECIMAL , principal_value_sigma_22_val DECIMAL , principal_value_sigma_33_val DECIMAL , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE chem_shift_anisotropy_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from cs_anisotropy_experimentType) -- Items in the CS_anisotropy_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported chemical shift anisotropy data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=CS_anisotropy_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_cs_anisotropy_experiment_sample_state CASCADE; CREATE TYPE ENUM_cs_anisotropy_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE cs_anisotropy_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_cs_anisotropy_experiment_sample_state , -- ATTRIBUTE chem_shift_anisotropy_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from cs_anisotropy_softwareType) -- Items in the CS_anisotropy_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=CS_anisotropy_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE cs_anisotropy_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE chem_shift_anisotropy_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from d_h_fract_factor_experimentType) -- Items in the D_H_fract_factor_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported D/H fractionation factors. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=D_H_fract_factor_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_d_h_fract_factor_experiment_sample_state CASCADE; CREATE TYPE ENUM_d_h_fract_factor_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE d_h_fract_factor_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_d_h_fract_factor_experiment_sample_state , -- ATTRIBUTE d_h_fractionation_factor_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from d_h_fract_factor_softwareType) -- Items in the D_H_fract_factor_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=D_H_fract_factor_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE d_h_fract_factor_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE d_h_fractionation_factor_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from d_h_fractionation_factorType) -- Items in the D_H_fractionation_factor category describe the deuterium/hydrogen fractionation factor values for a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=D_H_fractionation_factor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE d_h_fractionation_factor ( assembly_atom_id INTEGER , atom_id TEXT , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE d_h_fractionation_factor_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from d_h_fractionation_factor_listType) -- Items in the D_H_fractionation_factor_list category provide information about a list of reported deuterium/hydrogen fractionation factor values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=D_H_fractionation_factor_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE d_h_fractionation_factor_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from data_setType) -- Items in the data_set category define the kinds of data and the number of data sets for each kind of data in the entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Data_set -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_data_set_type CASCADE; CREATE TYPE ENUM_data_set_type AS ENUM ( 'assigned_chemical_shifts', 'theoretical_chem_shifts', 'chem_shift_perturbation', 'chemical_rates', 'coupling_constants', 'theoretical_coupling_constants', 'spectral_peak_list', 'other_data_list', 'RDCs', 'order_parameters', 'dipolar_couplings', 'spectral_density_values', 'H_exch_rates', 'H_exch_protection_factors', 'pKa_value_data_set', 'pH_NMR_param_list', 'binding_constants', 'D_H_fractionation_factors', 'molecular_axis_determinations', 'deduced_secd_struct_features', 'deduced_hydrogen_bonds', 'representative_conformer', 'conformer_family_coord_set', 'general_relaxation', 'heteronucl_T1_relaxation', 'theoretical_heteronucl_T1_relaxation', 'heteronucl_T1rho_relaxation', 'heteronucl_T2_relaxation', 'theoretical_heteronucl_T2_relaxation', 'heteronucl_NOEs', 'theoretical_heteronucl_NOEs', 'homonucl_NOEs', 'dipole_dipole_relaxation', 'dipole_dipole_cross_correlations', 'theoretical_dipole_dipole_cross_correlations', 'CSA_CSA_cross_correlation_relaxation', 'dipole_CSA_cross_correlation_relaxation', 'pH_titration' ); CREATE TABLE data_set ( count INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE type ENUM_data_set_type NOT NULL ); -- -- (quoted from datumType) -- Items in the datum category define the types of datum in the entry and the quantity of each type. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Datum -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_datum_type CASCADE; CREATE TYPE ENUM_datum_type AS ENUM ( '1H chemical shifts', '2H chemical shifts', '3H chemical shifts', '13C chemical shifts', '15N chemical shifts', '31P chemical shifts', '111Cd chemical shifts', '113Cd chemical shifts', 'theoretical 1H chemical shifts', 'theoretical 13C chemical shifts', 'theoretical 15N chemical shifts', 'chemical rates', 'coupling constants', 'theoretical coupling constants', 'chemical shift isotope effects', 'chemical shift perturbation values', 'T1 relaxation values', 'theoretical T1 relaxation values', 'T1rho relaxation values', 'T2 relaxation values', 'theoretical T2 relaxation values', 'dipole-dipole relaxation values', 'dipole-dipole cross correlation relaxation values', 'theoretical dipole-dipole cross-correlation values', 'chemical shift anisotropy values', 'chemical shift anisotropy tensor values', 'quadrupolar couplings', 'theoretical chemical shifts', 'chemical shift tensors', 'residual dipolar couplings', 'dipolar coupling values', 'dipolar coupling tensor values', 'heteronuclear NOE values', 'theoretical heteronuclear NOE values', 'homonuclear NOE values', 'order parameters', 'spectral density values', 'H exchange rates', 'H exchange protection factors', 'pKa values', 'pH NMR parameter values', 'binding constants', 'D/H fractionation factors', 'bond orientation values', 'deduced secondary structure values', 'deduced hydrogen bonds', 'distance constraints', 'ambiguous distance constraints', 'hydrogen bond distance constraints', 'torsion angle constraints', 'chemical shift constraints', 'symmetry constraints', '19F chemical shifts', '6Li chemical shifts', '10B chemical shifts', '11B chemical shifts', '17O chemical shifts', '23Na chemical shifts', '29Si chemical shifts', '35Cl chemical shifts', '129Xe chemical shifts', '195Pt chemical shifts', 'na' ); CREATE TABLE datum ( count INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE type ENUM_datum_type NOT NULL ); -- -- (quoted from decoupling_pulse_sequenceType) -- Items in the decoupling_pulse_sequence category define the parameters of a NMR pulse sequence used to decouple the magnetization between nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Decoupling_pulse_sequence -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE decoupling_pulse_sequence ( -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE nmr_spec_expt_id INTEGER NOT NULL , -- ATTRIBUTE time_period TEXT NOT NULL ); -- -- (quoted from deduced_h_bondType) -- Items in the deduced_H_bond category define the hydrogen bonds that have been deduced to exist in a molecular structure from the experimental data provided in an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_H_bond -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE deduced_h_bond ( donor_atom_id TEXT , figure_of_merit DECIMAL , h_atom_assembly_atom_id INTEGER , h_atom_auth_atom_id TEXT , h_atom_auth_comp_id TEXT , h_atom_auth_entity_assembly_id TEXT , h_atom_auth_seq_id TEXT , h_atom_comp_id TEXT , h_atom_comp_index_id INTEGER , h_atom_entity_assembly_id INTEGER , h_atom_entity_id INTEGER , h_atom_id TEXT , h_atom_seq_id INTEGER , heavy_atom_assembly_atom_id_1 INTEGER , heavy_atom_assembly_atom_id_2 INTEGER , heavy_atom_atom_id_1 TEXT , heavy_atom_atom_id_2 TEXT , heavy_atom_atom_type_1 TEXT , heavy_atom_atom_type_2 TEXT , heavy_atom_auth_atom_id_1 TEXT , heavy_atom_auth_atom_id_2 TEXT , heavy_atom_auth_comp_id_1 TEXT , heavy_atom_auth_comp_id_2 TEXT , heavy_atom_auth_entity_assembly_id_1 TEXT , heavy_atom_auth_entity_assembly_id_2 TEXT , heavy_atom_auth_seq_id_1 TEXT , heavy_atom_auth_seq_id_2 TEXT , heavy_atom_comp_id_1 TEXT , heavy_atom_comp_id_2 TEXT , heavy_atom_comp_index_id_1 INTEGER , heavy_atom_comp_index_id_2 INTEGER , heavy_atom_entity_assembly_id_1 INTEGER , heavy_atom_entity_assembly_id_2 INTEGER , heavy_atom_entity_id_1 INTEGER , heavy_atom_entity_id_2 INTEGER , heavy_atom_seq_id_1 INTEGER , heavy_atom_seq_id_2 INTEGER , -- ATTRIBUTE deduced_hydrogen_bond_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from deduced_h_bond_experimentType) -- Items in the deduced_H_bond_experiment category provide pointers to the NMR experiments and samples used to derive the data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_H_bond_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_deduced_h_bond_experiment_sample_state CASCADE; CREATE TYPE ENUM_deduced_h_bond_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE deduced_h_bond_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_deduced_h_bond_experiment_sample_state , -- ATTRIBUTE deduced_h_bond_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from deduced_h_bond_listType) -- Items in the deduced_H_bond_list category provide information about a list of reported hydrogen bonds deduced from experimental data and not from a calculated structure. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_H_bond_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE deduced_h_bond_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from deduced_h_bond_softwareType) -- Items in the deduced_H_bond_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_H_bond_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE deduced_h_bond_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE deduced_h_bond_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from deduced_secd_struct_experimentType) -- Items in the deduced_secd_struct_experiment category provide pointers to the NMR experiments and samples used to derive the data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_secd_struct_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_deduced_secd_struct_experiment_sample_state CASCADE; CREATE TYPE ENUM_deduced_secd_struct_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE deduced_secd_struct_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_deduced_secd_struct_experiment_sample_state , -- ATTRIBUTE deduced_secd_struct_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from deduced_secd_struct_exptlType) -- Items in the deduced_secd_struct_exptl describe secondary structure elements and their orientations determined experimentally. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_secd_struct_exptl -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE deduced_secd_struct_exptl ( auth_seq_id_end TEXT , auth_seq_id_start TEXT , code TEXT , comp_index_id_end INTEGER , comp_index_id_start INTEGER , details TEXT , entity_assembly_id INTEGER , entity_id INTEGER , name TEXT , selection_method_id INTEGER , selection_method_label TEXT , seq_id_end INTEGER , seq_id_start INTEGER , static_field_orientation_angle DECIMAL , -- ATTRIBUTE deduced_secd_struct_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from deduced_secd_struct_featureType) -- Items in the deduced_secd_struct_feature category define the kinds of secondary structure features that have been deduced to exist from the experimental data in an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_secd_struct_feature -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE deduced_secd_struct_feature ( assembly_atom_id INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , chem_comp_struct_element_type TEXT , chem_comp_struct_val DECIMAL , comp_id TEXT , entity_id INTEGER , figure_of_merit DECIMAL , seq_id INTEGER , spin_system_id INTEGER , -- ATTRIBUTE atom_id TEXT NOT NULL , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE deduced_secd_struct_list_id INTEGER NOT NULL , -- ATTRIBUTE entity_assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from deduced_secd_struct_listType) -- Items in the deduced_secd_struct_list category provide information about a list of reported secondary structure elements deduced from experimental data and not from a calculated structure. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_secd_struct_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE deduced_secd_struct_list ( details TEXT , name TEXT , residue_struct_value_details TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from deduced_secd_struct_softwareType) -- Items in the deduced_secd_struct_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Deduced_secd_struct_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE deduced_secd_struct_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE deduced_secd_struct_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from dipolar_couplingType) -- Items in the dipolar_coupling category describe the dipolar coupling values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipolar_coupling -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dipolar_coupling ( ambiguity_code_1 TEXT , ambiguity_code_2 TEXT , assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , dipolar_coupling_code TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , principal_euler_angle_alpha_val DECIMAL , principal_euler_angle_beta_val DECIMAL , principal_euler_angle_gamma_val DECIMAL , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , val_max DECIMAL , val_min DECIMAL , -- ATTRIBUTE dipolar_coupling_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dipolar_coupling_experimentType) -- Items in the dipolar_coupling_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported dipolar coupling values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipolar_coupling_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_dipolar_coupling_experiment_sample_state CASCADE; CREATE TYPE ENUM_dipolar_coupling_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE dipolar_coupling_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_dipolar_coupling_experiment_sample_state , -- ATTRIBUTE dipolar_coupling_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from dipolar_coupling_listType) -- Items in the dipolar_coupling_list category provide information about a list of reported dipolar coupling values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipolar_coupling_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dipolar_coupling_list ( details TEXT , fitting_procedure TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , scaling_factor DECIMAL , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dipolar_coupling_softwareType) -- Items in the dipolar_coupling_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipolar_coupling_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dipolar_coupling_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE dipolar_coupling_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from dipole_dipole_relaxType) -- Items in the dipole_dipole_relax category describe the dipole-dipole relaxation values assigned to a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipole_dipole_relax -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dipole_dipole_relax ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE dipole_dipole_relax_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dipole_dipole_relax_experimentType) -- Items in the dipole_dipole_relax_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported dipole-dipole relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipole_dipole_relax_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_dipole_dipole_relax_experiment_sample_state CASCADE; CREATE TYPE ENUM_dipole_dipole_relax_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE dipole_dipole_relax_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_dipole_dipole_relax_experiment_sample_state , -- ATTRIBUTE dipole_dipole_relax_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from dipole_dipole_relax_listType) -- Items in the dipole_dipole_relax_list category provide information about a list of reported dipole-dipole relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipole_dipole_relax_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_dipole_dipole_relax_list_val_units CASCADE; CREATE TYPE ENUM_dipole_dipole_relax_list_val_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); CREATE TABLE dipole_dipole_relax_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , val_units ENUM_dipole_dipole_relax_list_val_units , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dipole_dipole_relax_softwareType) -- Items in the dipole_dipole_relax_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dipole_dipole_relax_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dipole_dipole_relax_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE dipole_dipole_relax_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from dist_constr_software_settingType) -- Items in the dist_constr_software_setting category provide a list of parameters and their values used in carrying out a structure calculation with the distance constraints provided. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constr_software_setting -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_dist_constr_software_setting_type CASCADE; CREATE TYPE ENUM_dist_constr_software_setting_type AS ENUM ( 'averaging method', 'number monomers', 'pseudoatom corrections', 'potential function', 'temperature', 'exponent', 'switch distance', 'asymptote slope', 'B_high', 'ceiling', 'negative offset', 'scaling constant' ); CREATE TABLE dist_constr_software_setting ( range TEXT , value TEXT , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE type ENUM_dist_constr_software_setting_type NOT NULL ); -- -- (quoted from dist_constraintType) -- Items in the dist_constraint category define the atoms associated with a specific distance constraint value. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dist_constraint ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_asym_id TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id INTEGER , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , constraint_tree_node_member_id INTEGER , contribution_fractional_val DECIMAL , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE tree_node_member_constraint_id INTEGER NOT NULL , -- ATTRIBUTE tree_node_member_node_id INTEGER NOT NULL ); -- -- (quoted from dist_constraint_comment_orgType) -- Items in the dist_constraint_comment_org category provide original comments extracted from constraint files containing distance constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constraint_comment_org -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dist_constraint_comment_org ( comment_begin_column INTEGER , comment_begin_line INTEGER , comment_end_column INTEGER , comment_end_line INTEGER , comment_text TEXT , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dist_constraint_conv_errType) -- Items in the dist_constraint_conv_err category describe errors that occurred in converting the constraints to normalize the data with the atomic coordinates. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constraint_conv_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dist_constraint_conv_err ( conv_error_note TEXT , conv_error_type TEXT , dist_constraint_parse_file_id INTEGER , parse_file_constraint_id INTEGER , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dist_constraint_parse_errType) -- Items in the dist_constraint_parse_err category define the content and position of a segment of a distance constraint file that could not be parsed into NMR-STAR format. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constraint_parse_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dist_constraint_parse_err ( begin_column INTEGER , begin_line INTEGER , content TEXT , end_column INTEGER , end_line INTEGER , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dist_constraint_parse_fileType) -- Items in the dist_constraint_parse_file category define the files parsed to generate the NMR-STAR file. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constraint_parse_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dist_constraint_parse_file ( name TEXT , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from dist_constraint_treeType) -- Items in the dist_constraint_tree define the ambiguity in assigning distance constraints to specific atom pairs. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constraint_tree -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dist_constraint_tree ( down_node_id INTEGER , logic_operation TEXT , right_node_id INTEGER , -- ATTRIBUTE constraint_id INTEGER NOT NULL , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE node_id INTEGER NOT NULL ); -- -- (quoted from dist_constraint_valueType) -- Items in the dist_constraint_value category define the value and error for the distance constraints used to calculate a three-dimensional molecular structure. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Dist_constraint_value -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE dist_constraint_value ( distance_lower_bound_val DECIMAL , distance_upper_bound_val DECIMAL , distance_val DECIMAL , intensity_lower_val_err DECIMAL , intensity_upper_val_err DECIMAL , intensity_val DECIMAL , source_experiment_id INTEGER , spectral_peak_id INTEGER , spectral_peak_list_id INTEGER , -- ATTRIBUTE constraint_id INTEGER NOT NULL , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE tree_node_id INTEGER NOT NULL ); -- -- (quoted from distance_constraint_exptType) -- Items in the distance_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported distance constraints. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Distance_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_distance_constraint_expt_sample_state CASCADE; CREATE TYPE ENUM_distance_constraint_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE distance_constraint_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_distance_constraint_expt_sample_state , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from distance_constraint_listType) -- Items in the distance_constraint_list category provide information about a list of reported distance constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Distance_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_distance_constraint_list_constraint_type CASCADE; CREATE TYPE ENUM_distance_constraint_list_constraint_type AS ENUM ( 'NOE', 'NOE build-up', 'NOE not seen', 'ROE', 'ROE build-up', 'hydrogen bond', 'disulfide bond', 'paramagnetic relaxation', 'symmetry', 'general distance' ); CREATE TABLE distance_constraint_list ( block_id INTEGER , constraint_file_id INTEGER , constraint_type ENUM_distance_constraint_list_constraint_type , details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from distance_constraint_softwareType) -- Items in the distance_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Distance_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE distance_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE distance_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from emr_exptType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=EMR_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_emr_expt_sample_volume_units CASCADE; CREATE TYPE ENUM_emr_expt_sample_volume_units AS ENUM ( 'ml' ); CREATE TABLE emr_expt ( details TEXT , emr_instrument_id INTEGER , emr_instrument_label TEXT , method_id INTEGER , method_label TEXT , name TEXT , sample_volume DECIMAL , sample_volume_units ENUM_emr_expt_sample_volume_units , sf_category TEXT , sf_framecode TEXT , software_id INTEGER , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from emr_instrumentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=EMR_instrument -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE emr_instrument ( details TEXT , manufacturer TEXT , model TEXT , name TEXT , serial_number TEXT , sf_category TEXT , sf_framecode TEXT , type TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from energetic_penalty_functionType) -- Items in the energetic_penalty_function category provide descriptions for the energy penalty functions used in calculating the reported family of conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Energetic_penalty_function -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE energetic_penalty_function ( description TEXT , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE function TEXT NOT NULL ); -- -- (quoted from entityType) -- Items in the entity category describe the characteristics of a molecular entity (protein, nucleic acid, polycarbohydrate, cofactor, ligand, inhibitor, etc.) -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entity_ambiguous_chem_comp_sites CASCADE; CREATE TYPE ENUM_entity_ambiguous_chem_comp_sites AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_ambiguous_conformational_states CASCADE; CREATE TYPE ENUM_entity_ambiguous_conformational_states AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_nstd_chirality CASCADE; CREATE TYPE ENUM_entity_nstd_chirality AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_nstd_linkage CASCADE; CREATE TYPE ENUM_entity_nstd_linkage AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_nstd_monomer CASCADE; CREATE TYPE ENUM_entity_nstd_monomer AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_paramagnetic CASCADE; CREATE TYPE ENUM_entity_paramagnetic AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_polymer_common_type CASCADE; CREATE TYPE ENUM_entity_polymer_common_type AS ENUM ( 'protein', 'DNA', 'RNA', 'DNA/RNA hybrid', 'polysaccharide' ); DROP TYPE IF EXISTS ENUM_entity_polymer_type CASCADE; CREATE TYPE ENUM_entity_polymer_type AS ENUM ( 'cyclic-pseudo-peptide', 'polypeptide(L)', 'polydeoxyribonucleotide', 'polyribonucleotide', 'polydeoxyribonucleotide/polyribonucleotide hybrid', 'polypeptide(D)', 'polysaccharide(D)', 'polysaccharide(L)', 'other' ); DROP TYPE IF EXISTS ENUM_entity_thiol_state CASCADE; CREATE TYPE ENUM_entity_thiol_state AS ENUM ( 'all disulfide bound', 'all other bound', 'all free', 'not present', 'not available', 'unknown', 'not reported', 'free and disulfide bound', 'free and other bound', 'free disulfide and other bound', 'disulfide and other bound' ); DROP TYPE IF EXISTS ENUM_entity_type CASCADE; CREATE TYPE ENUM_entity_type AS ENUM ( 'polymer', 'non-polymer', 'water', 'aggregate', 'solvent' ); CREATE TABLE entity ( ambiguous_chem_comp_sites ENUM_entity_ambiguous_chem_comp_sites , ambiguous_conformational_states ENUM_entity_ambiguous_conformational_states , bmrb_code TEXT , calc_isoelectric_point DECIMAL , -- map XSD date (xsd:date) to SQL DATE db_query_date DATE , -- map XSD date (xsd:date) to SQL DATE db_query_revised_last_date DATE , details TEXT , ec_number TEXT , formula_weight DECIMAL , formula_weight_exptl DECIMAL , formula_weight_exptl_meth TEXT , fragment TEXT , mutation TEXT , name TEXT , nonpolymer_comp_id TEXT , nonpolymer_comp_label TEXT , nstd_chirality ENUM_entity_nstd_chirality , nstd_linkage ENUM_entity_nstd_linkage , nstd_monomer ENUM_entity_nstd_monomer , number_of_monomers INTEGER , number_of_nonpolymer_components INTEGER , paramagnetic ENUM_entity_paramagnetic , parent_entity_id INTEGER , polymer_author_defined_seq TEXT , polymer_author_seq_details TEXT , polymer_common_type ENUM_entity_polymer_common_type , polymer_seq_one_letter_code TEXT , polymer_seq_one_letter_code_can TEXT , polymer_strand_id TEXT , polymer_type ENUM_entity_polymer_type , polymer_type_details TEXT , sf_category TEXT , sf_framecode TEXT , src_method TEXT , target_identifier TEXT , thiol_state ENUM_entity_thiol_state , type ENUM_entity_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_assemblyType) -- Items in the entity_assembly category identify each molecule in the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_assembly -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entity_assembly_chemical_exchange_state CASCADE; CREATE TYPE ENUM_entity_assembly_chemical_exchange_state AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_assembly_conformational_isomer CASCADE; CREATE TYPE ENUM_entity_assembly_conformational_isomer AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_assembly_experimental_data_reported CASCADE; CREATE TYPE ENUM_entity_assembly_experimental_data_reported AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_assembly_physical_state CASCADE; CREATE TYPE ENUM_entity_assembly_physical_state AS ENUM ( 'native', 'denatured', 'molten globule', 'unfolded', 'intrinsically disordered', 'partially disordered', 'na' ); CREATE TABLE entity_assembly ( asym_id TEXT , chemical_exchange_state ENUM_entity_assembly_chemical_exchange_state , conformational_isomer ENUM_entity_assembly_conformational_isomer , details TEXT , entity_assembly_name TEXT , entity_id INTEGER , entity_label TEXT , experimental_data_reported ENUM_entity_assembly_experimental_data_reported , magnetic_equivalence_group_code TEXT , pdb_chain_id TEXT , physical_state ENUM_entity_assembly_physical_state , role TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_atom_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_atom_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_atom_list ( atom_id TEXT , comp_id TEXT , comp_index_id INTEGER , sf_id INTEGER , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_biological_functionType) -- Items in the entity_biological_function category describe the biological function of the molecular entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_biological_function -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_biological_function ( -- ATTRIBUTE biological_function TEXT NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from entity_bondType) -- Items in the entity_bond category define chemical bonds that are unique to the entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_bond -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entity_bond_type CASCADE; CREATE TYPE ENUM_entity_bond_type AS ENUM ( 'amide', 'covalent', 'directed', 'disulfide', 'ester', 'ether', 'hydrogen', 'metal coordination', 'peptide', 'thioether', 'oxime', 'thioester', 'phosphoester', 'phosphodiester', 'diselenide', 'na' ); DROP TYPE IF EXISTS ENUM_entity_bond_value_order CASCADE; CREATE TYPE ENUM_entity_bond_value_order AS ENUM ( 'sing', 'doub', 'trip', 'quad', 'arom', 'poly', 'delo', 'pi', 'directed' ); CREATE TABLE entity_bond ( atom_id_1 TEXT , atom_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , details TEXT , type ENUM_entity_bond_type , value_order ENUM_entity_bond_value_order , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_chem_comp_deleted_atomType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_chem_comp_deleted_atom -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_chem_comp_deleted_atom ( comp_id TEXT , sf_id INTEGER , -- ATTRIBUTE atom_id TEXT NOT NULL , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from entity_chimera_segmentType) -- Items in the entity_chimera_segment category describe the beginning and ending points of the two segments of a biopolymer that form the hybrid biopolymer. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_chimera_segment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_chimera_segment ( comp_index_id_begin INTEGER , comp_index_id_end INTEGER , details TEXT , seq_id_begin INTEGER , seq_id_end INTEGER , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_citationType) -- Items in the entity_citation category provide pointers to citations save frames where citations that describe the entity are defined. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from entity_common_nameType) -- Items in the entity_common_name category provide a list of common names for the molecular entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_common_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_common_name ( -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE type TEXT NOT NULL ); -- -- (quoted from entity_comp_indexType) -- Items in the entity_comp_index category provide a consistent numbering system for the moieties (amino acid residues, nucleotides, monosaccharides, or other chemical components) that are linked together through chemical bonds to form either a polymer or a non-polymer entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_comp_index -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_comp_index ( auth_seq_id TEXT , comp_id TEXT , comp_label TEXT , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_comp_index_altType) -- Items in the entity_comp_index_alt category define an alternate residue numbering scheme for the an entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_comp_index_alt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_comp_index_alt ( auth_seq_id TEXT , comp_label TEXT , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE entity_comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from entity_db_linkType) -- Items in the entity_db_link provide the names of databases and accession numbers for entries in the databases that are related to a molecular entity and information about the link entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_db_link -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entity_db_link_author_supplied CASCADE; CREATE TYPE ENUM_entity_db_link_author_supplied AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_db_link_entry_experimental_method CASCADE; CREATE TYPE ENUM_entity_db_link_entry_experimental_method AS ENUM ( 'solution NMR', 'solid-state NMR', 'X-ray crystallography', 'na' ); DROP TYPE IF EXISTS ENUM_entity_db_link_database_code CASCADE; CREATE TYPE ENUM_entity_db_link_database_code AS ENUM ( 'BMRB', 'DBJ', 'EMBL', 'GB', 'PDB', 'PIR', 'PRF', 'REF', 'SP', 'UNP', 'NCBI', 'HUGO', 'tRNADB', 'BMRB(withdrawn)' ); CREATE TABLE entity_db_link ( author_supplied ENUM_entity_db_link_author_supplied , chimera_segment_id INTEGER , entry_details TEXT , entry_experimental_method ENUM_entity_db_link_entry_experimental_method , entry_mol_code TEXT , entry_mol_name TEXT , entry_relation_type TEXT , entry_structure_resolution DECIMAL , ordinal INTEGER , seq_align_begin TEXT , seq_align_end TEXT , seq_alignment_details TEXT , seq_difference_details TEXT , seq_homology_expectation_val DOUBLE PRECISION , seq_identity DECIMAL , seq_positive DECIMAL , seq_query_to_submitted_percent DECIMAL , seq_subject_length INTEGER , -- ATTRIBUTE accession_code TEXT NOT NULL , -- ATTRIBUTE database_code ENUM_entity_db_link_database_code NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from entity_deleted_atomType) -- Items in the entity_deleted_atom category define the atoms that are deleted from molecular entities when intermolecular bonds are formed to construct the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_deleted_atom -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_deleted_atom ( atom_id TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_atom_list_id INTEGER , entity_id INTEGER , seq_id INTEGER , sf_id INTEGER , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_experimental_srcType) -- Items in the entity_experimental_src category describe the biological system or other means used to produce a molecular entity for experimental purposes. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_experimental_src -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entity_experimental_src_production_method CASCADE; CREATE TYPE ENUM_entity_experimental_src_production_method AS ENUM ( 'recombinant technology', 'purified from the natural source', 'chemical synthesis', 'cell free synthesis', 'enzymatic semisynthesis', 'reverse transcriptase', 'obtained from a collaborator', 'obtained from a vendor', 'na' ); CREATE TABLE entity_experimental_src ( citation_id INTEGER , citation_label TEXT , details TEXT , entity_chimera_segment_id INTEGER , entity_id INTEGER , entity_label TEXT , host_org_atcc_number TEXT , host_org_cell_line TEXT , host_org_cell_type TEXT , host_org_cellular_location TEXT , host_org_culture_collection TEXT , host_org_details TEXT , host_org_dev_stage TEXT , host_org_gene TEXT , host_org_genus TEXT , host_org_name_common TEXT , host_org_ncbi_taxonomy_id TEXT , host_org_organ TEXT , host_org_organelle TEXT , host_org_scientific_name TEXT , host_org_species TEXT , host_org_strain TEXT , host_org_subvariant TEXT , host_org_tissue TEXT , host_org_tissue_fraction TEXT , host_org_variant TEXT , pdbview_host_org_vector_name TEXT , pdbview_plasmid_name TEXT , production_method ENUM_entity_experimental_src_production_method , vector_details TEXT , vector_name TEXT , vector_type TEXT , vendor_name TEXT , -- ATTRIBUTE entity_experimental_src_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_experimental_src_listType) -- Items in the entity_experimental_src_list category define an entity experimental source save frame. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_experimental_src_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_experimental_src_list ( sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_keywordType) -- Items in the entity_keyword category provide a list of keywords that describe a molecular entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_keyword -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_keyword ( -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE keyword TEXT NOT NULL ); -- -- (quoted from entity_natural_srcType) -- Items in the entity_natural_src category describe the organism, virus, or other naturally occurring object that is the original source for a molecular entity or a major portion of a molecular entity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_natural_src -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entity_natural_src_common CASCADE; CREATE TYPE ENUM_entity_natural_src_common AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_entity_natural_src_kingdom CASCADE; CREATE TYPE ENUM_entity_natural_src_kingdom AS ENUM ( 'Metazoa', 'Fungi', 'Viridiplantae', 'Loebvirae', 'Orthornavirae', 'Pararnavirae', 'Heunggongvirae', 'Bamfordvirae', 'Helvetiavirae', 'Sangervirae', 'Shotokuvirae', 'Trapavirae', 'Zilligvirae', 'Not applicable' ); DROP TYPE IF EXISTS ENUM_entity_natural_src_organ CASCADE; CREATE TYPE ENUM_entity_natural_src_organ AS ENUM ( 'brain', 'heart', 'intestine', 'kidney', 'liver', 'lung', 'pancreas', 'skin', 'testicle', 'leaf', 'venom gland', 'oral mucosa submandibular-sublingual glands', 'salivary glands', 'oocyte', 'breast', 'stomach', 'electric organ', 'eye', 'ileum', 'small intestine', 'seed', 'blood', 'duodendum', 'jejunum', 'vulva', 'hepatopancreas', 'placenta', 'skeletal muscle', 'aorta', 'telson', 'ubiquitous', 'aciniform gland', 'endoskeleton', 'heamolymph', 'mucous epithelium', 'cardiac skeletal muscle', 'seminal vesicles', 'antennae', 'fruit', 'thymus', 'egg white', 'na' ); DROP TYPE IF EXISTS ENUM_entity_natural_src_organelle CASCADE; CREATE TYPE ENUM_entity_natural_src_organelle AS ENUM ( 'chloroplast', 'endoplasmic reticulum', 'golgi apparatus', 'mitochondria', 'nucleus', 'vacuole', 'acrosome', 'autophagosome', 'centriole', 'cilium', 'eyespot apparatus', 'glycosome', 'glyoxysome', 'hydrogenosome', 'lysosome', 'melanosome', 'mitosome', 'myofibril', 'nucleolus', 'parenthesome', 'peroxisome', 'proteasome', 'ribosome', 'vesicle', 'cytosol', 'cytoskeleton', 'endomembrane system', 'nucleosome', 'microtubule', 'cell membrane', 'na' ); DROP TYPE IF EXISTS ENUM_entity_natural_src_secretion CASCADE; CREATE TYPE ENUM_entity_natural_src_secretion AS ENUM ( 'saliva', 'semen', 'vaginal fluid', 'venom', 'hen egg white', 'sensillum lymph', 'milk', 'blood', 'dermal', 'urine', 'extracellular', 'cement', 'na' ); DROP TYPE IF EXISTS ENUM_entity_natural_src_superkingdom CASCADE; CREATE TYPE ENUM_entity_natural_src_superkingdom AS ENUM ( 'Archaea', 'Bacteria', 'Eukaryota', 'Viroid', 'Viruses', 'Other', 'Unclassified' ); DROP TYPE IF EXISTS ENUM_entity_natural_src_type CASCADE; CREATE TYPE ENUM_entity_natural_src_type AS ENUM ( 'organism', 'virus', 'plasmid', 'cosmid', 'multiple natural sources', 'no natural source', 'not applicable' ); CREATE TABLE entity_natural_src ( atcc_number TEXT , cell_line TEXT , cell_type TEXT , cellular_location TEXT , citation_id INTEGER , citation_label TEXT , common ENUM_entity_natural_src_common , details TEXT , dev_stage TEXT , entity_chimera_segment_id INTEGER , entity_id INTEGER , entity_label TEXT , fraction TEXT , fragment TEXT , gene_mnemonic TEXT , genus TEXT , ictvdb_decimal_code TEXT , kingdom ENUM_entity_natural_src_kingdom , ncbi_taxonomy_id TEXT , organ ENUM_entity_natural_src_organ , organelle ENUM_entity_natural_src_organelle , organism_acronym TEXT , organism_name_common TEXT , organism_name_scientific TEXT , plasmid TEXT , plasmid_details TEXT , secretion ENUM_entity_natural_src_secretion , species TEXT , strain TEXT , subvariant TEXT , superkingdom ENUM_entity_natural_src_superkingdom , tissue TEXT , tissue_fraction TEXT , type ENUM_entity_natural_src_type , variant TEXT , -- ATTRIBUTE entity_natural_src_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_natural_src_listType) -- Items in the entity_natural_src_list category define an entity natural source save frame. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_natural_src_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_natural_src_list ( sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_poly_seqType) -- Data items in the entity_poly_seq category specify the sequence of monomers in a polymer. Allowance is made for the possibility of microheterogeneity in a sample by allowing a given sequence number to be correlated with more than one monomer ID. The corresponding ATOM_SITE entries should reflect this heterogeneity. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_poly_seq -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_poly_seq ( comp_index_id INTEGER , hetero TEXT , mon_id TEXT , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE num INTEGER NOT NULL ); -- -- (quoted from entity_purityType) -- Items in the entity_purity category define the purity of a molecular entity in a sample. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_purity -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_purity ( details TEXT , entity_id INTEGER , entity_label TEXT , measurement_method TEXT , sample_id INTEGER , sample_label TEXT , val DECIMAL , val_units TEXT , -- ATTRIBUTE entity_purity_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_purity_citationType) -- Items in the entity_purity_citation provide links to the citations category where literature references can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_purity_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_purity_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE entity_purity_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from entity_purity_listType) -- Items in the entity_purity_list category define a unique set of information about the purity of molecular entities in samples used to collect experimental data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_purity_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entity_purity_list ( details TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entity_systematic_nameType) -- Items in the entity_systematic_name category provide a list of systematic names for a molecular entity and the systematic naming system. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entity_systematic_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entity_systematic_name_naming_system CASCADE; CREATE TYPE ENUM_entity_systematic_name_naming_system AS ENUM ( 'IUPAC', 'CAS name', 'CAS registry number', 'BMRB', 'Three letter code', 'Pfam', 'Swiss-Prot', 'EC', 'NCBI' ); CREATE TABLE entity_systematic_name ( name TEXT , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE naming_system ENUM_entity_systematic_name_naming_system NOT NULL ); -- -- (quoted from entry_authorType) -- Items in the entry_author category define the names of the authors of an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entry_author -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entry_author_family_title CASCADE; CREATE TYPE ENUM_entry_author_family_title AS ENUM ( 'Sr.', 'Jr.', 'I', 'II', 'III', 'IV', 'V' ); CREATE TABLE entry_author ( family_name TEXT , family_title ENUM_entry_author_family_title , first_initial TEXT , given_name TEXT , middle_initials TEXT , orcid TEXT , pdbx_name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE ordinal INTEGER NOT NULL ); -- -- (quoted from entry_experimental_methodsType) -- Items in the entry_experimental_methods list and describe the experimental techniques used to collect the data in the entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entry_experimental_methods -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_entry_experimental_methods_method CASCADE; CREATE TYPE ENUM_entry_experimental_methods_method AS ENUM ( 'NMR', 'X-ray', 'SAXS', 'WAXS', 'EMR', 'FRET', 'MS', 'Theoretical', 'MD' ); DROP TYPE IF EXISTS ENUM_entry_experimental_methods_subtype CASCADE; CREATE TYPE ENUM_entry_experimental_methods_subtype AS ENUM ( 'solution', 'solid-state' ); CREATE TABLE entry_experimental_methods ( method ENUM_entry_experimental_methods_method , subtype ENUM_entry_experimental_methods_subtype , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from entry_srcType) -- Items in the entry_src category describe the organization that is the source of the data in an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Entry_src -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE entry_src ( organization_full_name TEXT , organization_initials TEXT , project_name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from experimentType) -- Items in the experiment category define the experiments carried out and the samples, sample conditions, and if relevant NMR spectrometer used in the experiment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_experiment_raw_data_flag CASCADE; CREATE TYPE ENUM_experiment_raw_data_flag AS ENUM ( 'no', 'yes' ); DROP TYPE IF EXISTS ENUM_experiment_sample_state CASCADE; CREATE TYPE ENUM_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE experiment ( chromatographic_column_id INTEGER , chromatographic_column_label TEXT , chromatographic_system_id INTEGER , chromatographic_system_label TEXT , emr_expt_id INTEGER , emr_expt_label TEXT , emr_instrument_id INTEGER , emr_instrument_label TEXT , fluorescence_instrument_id INTEGER , fluorescence_instrument_label TEXT , fret_expt_id INTEGER , fret_expt_label TEXT , mass_spectrometer_id INTEGER , mass_spectrometer_label TEXT , ms_expt_id INTEGER , ms_expt_label TEXT , name TEXT , nmr_spec_expt_id INTEGER , nmr_spec_expt_label TEXT , nmr_spectral_processing_id INTEGER , nmr_spectral_processing_label TEXT , nmr_spectrometer_id INTEGER , nmr_spectrometer_label TEXT , nmr_spectrometer_probe_id INTEGER , nmr_spectrometer_probe_label TEXT , nmr_tube_type TEXT , raw_data_flag ENUM_experiment_raw_data_flag , sample_angle DECIMAL , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sample_id INTEGER , sample_label TEXT , sample_spinning_rate DECIMAL , sample_state ENUM_experiment_sample_state , sample_volume DECIMAL , sample_volume_units TEXT , saxs_expt_id INTEGER , saxs_expt_label TEXT , xray_instrument_id INTEGER , xray_instrument_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from experiment_fileType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Experiment_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_experiment_file_content CASCADE; CREATE TYPE ENUM_experiment_file_content AS ENUM ( 'NMR experiment directory', 'Time-domain (raw spectral data)', 'Pulse sequence image file', 'Pulse sequence', 'Pulse field gradient', 'Peak list', 'Spectral image', 'Acquisition parameters', 'Processing parameters', 'RNA fragment binding data', 'na' ); CREATE TABLE experiment_file ( content ENUM_experiment_file_content , details TEXT , directory_path TEXT , -- IN-PLACE DOCUMENT KEY entry_id TEXT , experiment_list_id INTEGER , type TEXT , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE name TEXT NOT NULL ); -- -- (quoted from experiment_listType) -- Items in the experiment_list category provide meta data about a set of experiments used to collect the data provided in an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Experiment_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE experiment_list ( details TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from floating_chiralityType) -- Items in the floating_chirality category define the atoms whose chirality was allowed to float in a structure determination. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Floating_chirality -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE floating_chirality ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , stereospecific_assignment_code TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE floating_chirality_assign_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from floating_chirality_assignType) -- Items in the floating_chirality_assign category provide meta data regarding the floating chirality assignments used in calculating a three-dimensional structure. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Floating_chirality_assign -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE floating_chirality_assign ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , stereo_assigned_count INTEGER , stereo_count INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from floating_chirality_softwareType) -- Items in the floating_chirality_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Floating_chirality_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE floating_chirality_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE floating_chirality_assign_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from fluorescence_instrumentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Fluorescence_instrument -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE fluorescence_instrument ( details TEXT , manufacturer TEXT , model TEXT , name TEXT , serial_number TEXT , sf_category TEXT , sf_framecode TEXT , type TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from force_constantType) -- Items in the force_constant category record the force constant terms and their values used in calculating the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Force_constant -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_force_constant_term CASCADE; CREATE TYPE ENUM_force_constant_term AS ENUM ( 'distance term', 'torsion angle term', '1J coupling term', '3J coupling term', '13C shift term', '1H shift term', 'dipolar couplings term', '2H isotope shift term', 'T1 term', 'T2 term', 'CSA term', 'Pseudocontact shift term', 'covalent geometry bond term', 'covalent geometry angles term', 'covalent geometry impropers term', 'non-bonded van der Waals interaction term', 'non-bonded radius of gyration interaction term' ); DROP TYPE IF EXISTS ENUM_force_constant_units CASCADE; CREATE TYPE ENUM_force_constant_units AS ENUM ( 'kcal/mol*A2', 'kcal/mol*rad2', 'kcal/mol*A4', 'kcal/mol*Hz2', 'kcal/mol*ppm2' ); CREATE TABLE force_constant ( term ENUM_force_constant_term , units ENUM_force_constant_units , val DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE force_constant_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from force_constant_listType) -- Items in the force_constant_list category provide information about a list of reported force constants used in calculating the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Force_constant_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_force_constant_list_default_software_values_used CASCADE; CREATE TYPE ENUM_force_constant_list_default_software_values_used AS ENUM ( 'yes', 'no' ); CREATE TABLE force_constant_list ( default_software_values_used ENUM_force_constant_list_default_software_values_used , details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from force_constant_softwareType) -- Items in the force_constant_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Force_constant_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE force_constant_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE force_constant_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from fret_exptType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=FRET_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE fret_expt ( details TEXT , fluorescence_instrument_id INTEGER , fluorescence_instrument_label TEXT , method_id INTEGER , method_label TEXT , name TEXT , sample_volume DECIMAL , sample_volume_units TEXT , sf_category TEXT , sf_framecode TEXT , software_id INTEGER , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraintType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_gen_dist_constraint_member_logic_code CASCADE; CREATE TYPE ENUM_gen_dist_constraint_member_logic_code AS ENUM ( 'OR', 'AND' ); CREATE TABLE gen_dist_constraint ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_alt_id_1 TEXT , auth_alt_id_2 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_atom_name_1 TEXT , auth_atom_name_2 TEXT , auth_chain_id_1 TEXT , auth_chain_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , combination_id INTEGER , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , contribution_fractional_val DECIMAL , distance_lower_bound_val DECIMAL , distance_upper_bound_val DECIMAL , distance_val DECIMAL , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , id INTEGER , intensity_lower_val_err DECIMAL , intensity_upper_val_err DECIMAL , intensity_val DECIMAL , lower_linear_limit DECIMAL , member_id INTEGER , member_logic_code ENUM_gen_dist_constraint_member_logic_code , pdb_atom_name_1 TEXT , pdb_atom_name_2 TEXT , pdb_ins_code_1 TEXT , pdb_ins_code_2 TEXT , pdb_model_num_1 INTEGER , pdb_model_num_2 INTEGER , pdb_record_id_1 TEXT , pdb_record_id_2 TEXT , pdb_residue_name_1 TEXT , pdb_residue_name_2 TEXT , pdb_residue_no_1 TEXT , pdb_residue_no_2 TEXT , pdb_strand_id_1 TEXT , pdb_strand_id_2 TEXT , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , spectral_peak_id INTEGER , spectral_peak_list_id INTEGER , target_val DECIMAL , target_val_uncertainty DECIMAL , upper_linear_limit DECIMAL , weight DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE index_id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_comment_orgType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_comment_org -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE gen_dist_constraint_comment_org ( comment_begin_column INTEGER , comment_begin_line INTEGER , comment_end_column INTEGER , comment_end_line INTEGER , comment_text TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_conv_errType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_conv_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE gen_dist_constraint_conv_err ( conv_error_note TEXT , conv_error_type TEXT , gen_dist_constraint_parse_file_id INTEGER , parse_file_constraint_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_exptType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_gen_dist_constraint_expt_sample_state CASCADE; CREATE TYPE ENUM_gen_dist_constraint_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE gen_dist_constraint_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_gen_dist_constraint_expt_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_gen_dist_constraint_list_constraint_type CASCADE; CREATE TYPE ENUM_gen_dist_constraint_list_constraint_type AS ENUM ( 'NOE', 'NOE build-up', 'NOE not seen', 'ROE', 'ROE build-up', 'hydrogen bond', 'disulfide bond', 'paramagnetic relaxation', 'symmetry', 'general distance' ); DROP TYPE IF EXISTS ENUM_gen_dist_constraint_list_potential_type CASCADE; CREATE TYPE ENUM_gen_dist_constraint_list_potential_type AS ENUM ( 'log-harmonic', 'parabolic', 'square-well-parabolic', 'square-well-parabolic-linear', 'upper-bound-parabolic', 'lower-bound-parabolic', 'upper-bound-parabolic-linear', 'lower-bound-parabolic-linear' ); CREATE TABLE gen_dist_constraint_list ( block_id INTEGER , constraint_file_id INTEGER , constraint_type ENUM_gen_dist_constraint_list_constraint_type , details TEXT , name TEXT , potential_type ENUM_gen_dist_constraint_list_potential_type , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_parse_errType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_parse_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE gen_dist_constraint_parse_err ( begin_column INTEGER , begin_line INTEGER , content TEXT , end_column INTEGER , end_line INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_parse_fileType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_parse_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE gen_dist_constraint_parse_file ( name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE gen_dist_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from gen_dist_constraint_software_paramType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Gen_dist_constraint_software_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_gen_dist_constraint_software_param_type CASCADE; CREATE TYPE ENUM_gen_dist_constraint_software_param_type AS ENUM ( 'averaging method', 'number monomers', 'pseudoatom corrections', 'potential function', 'temperature', 'exponent', 'switch distance', 'asymptote slope', 'B_high', 'ceiling', 'negative offset', 'scaling constant' ); CREATE TABLE gen_dist_constraint_software_param ( range TEXT , value TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE gen_dist_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE type ENUM_gen_dist_constraint_software_param_type NOT NULL ); -- -- (quoted from h_chem_shift_constraintType) -- Items in the H_chem_shift_constraint category describe the 1H chemical shift value used as a constraint in calculating the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_chem_shift_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_chem_shift_constraint ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_asym_id TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id INTEGER , auth_seq_id TEXT , chem_shift_val DECIMAL , chem_shift_val_err DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , source_experiment_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE h_chem_shift_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from h_chem_shift_constraint_exptType) -- Items in the H_chem_shift_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported 1H chemical shift constraints. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_chem_shift_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_h_chem_shift_constraint_expt_sample_state CASCADE; CREATE TYPE ENUM_h_chem_shift_constraint_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE h_chem_shift_constraint_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_h_chem_shift_constraint_expt_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE h_chem_shift_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from h_chem_shift_constraint_listType) -- Items in the H_chem_shift_constraint_list category provide information about a list of reported 1H chemical shift constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_chem_shift_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_chem_shift_constraint_list ( block_id INTEGER , constraint_file_id INTEGER , data_file_format TEXT , details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , units TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from h_chem_shift_constraint_softwareType) -- Items in the H_chem_shift_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_chem_shift_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_chem_shift_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE h_chem_shift_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from h_exch_protection_fact_experimentType) -- Items in the H_exch_protection_fact_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported hydrogen exchange protection factors. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_protection_fact_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_h_exch_protection_fact_experiment_sample_state CASCADE; CREATE TYPE ENUM_h_exch_protection_fact_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE h_exch_protection_fact_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_h_exch_protection_fact_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE h_exch_protection_factor_list_id INTEGER NOT NULL ); -- -- (quoted from h_exch_protection_fact_softwareType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_protection_fact_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_exch_protection_fact_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE h_exch_protection_factor_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from h_exch_protection_factorType) -- Items in the H_exch_protection_factor category describe the hydrogen exchange protection factor values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_protection_factor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_exch_protection_factor ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , calculated_intrinsic_rate DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE h_exch_protection_factor_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from h_exch_protection_factor_listType) -- Items in the H_exch_protection_factor_list category provide information about a list of reported hydrogen exchange protection factor values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_protection_factor_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_exch_protection_factor_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , std_values_source_cit_id INTEGER , std_values_source_cit_label TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from h_exch_rateType) -- Items in the H_exch_rate category describe the hydrogen exchange rate values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_rate -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_exch_rate ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , val_max DECIMAL , val_min DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE h_exch_rate_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from h_exch_rate_experimentType) -- Items in the H_exch_rate_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported hydrogen exchange rates. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_rate_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_h_exch_rate_experiment_sample_state CASCADE; CREATE TYPE ENUM_h_exch_rate_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE h_exch_rate_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_h_exch_rate_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE h_exch_rate_list_id INTEGER NOT NULL ); -- -- (quoted from h_exch_rate_listType) -- Items in the H_exch_rate_list category provide information about a list of reported hydrogen exchange rate values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_rate_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_h_exch_rate_list_val_units CASCADE; CREATE TYPE ENUM_h_exch_rate_list_val_units AS ENUM ( 's', 's-1', 'min', 'min-1', 'hr', 'hr-1' ); CREATE TABLE h_exch_rate_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , val_units ENUM_h_exch_rate_list_val_units , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from h_exch_rate_softwareType) -- Items in the H_exch_rate_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=H_exch_rate_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE h_exch_rate_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE h_exch_rate_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_noeType) -- Items in the heteronucl_NOE category capture heteronuclear NOE values for pairs of nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_NOE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE heteronucl_noe ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_noe_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from heteronucl_noe_experimentType) -- Items in the heteronucl_NOE_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear NOE values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_NOE_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_noe_experiment_sample_state CASCADE; CREATE TYPE ENUM_heteronucl_noe_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE heteronucl_noe_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_heteronucl_noe_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE heteronucl_noe_list_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_noe_listType) -- Items in the heteronucl_NOE_list category provide information about a list of reported heteronuclear NOE values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_NOE_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_noe_list_heteronuclear_noe_val_type CASCADE; CREATE TYPE ENUM_heteronucl_noe_list_heteronuclear_noe_val_type AS ENUM ( 'peak height', 'peak integral', 'contour count', 'relative intensities', 'na' ); CREATE TABLE heteronucl_noe_list ( details TEXT , heteronuclear_noe_val_type ENUM_heteronucl_noe_list_heteronuclear_noe_val_type , name TEXT , noe_ref_description TEXT , noe_ref_val DECIMAL , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from heteronucl_noe_softwareType) -- Items in the heteronucl_NOE_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_NOE_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE heteronucl_noe_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_noe_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t1_experimentType) -- Items in the heteronucl_T1_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear T1 values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T1_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_t1_experiment_sample_state CASCADE; CREATE TYPE ENUM_heteronucl_t1_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE heteronucl_t1_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_heteronucl_t1_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE heteronucl_t1_list_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t1_listType) -- Items in the heteronucl_T1_list category provide information about a list of reported heteronuclear T1 relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T1_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_t1_list_t1_coherence_type CASCADE; CREATE TYPE ENUM_heteronucl_t1_list_t1_coherence_type AS ENUM ( 'Iz', 'Sz', 'na' ); DROP TYPE IF EXISTS ENUM_heteronucl_t1_list_t1_val_units CASCADE; CREATE TYPE ENUM_heteronucl_t1_list_t1_val_units AS ENUM ( 's', 's-1', 'ms', 'ms-1' ); CREATE TABLE heteronucl_t1_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , t1_coherence_type ENUM_heteronucl_t1_list_t1_coherence_type , t1_val_units ENUM_heteronucl_t1_list_t1_val_units , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t1_softwareType) -- Items in the heteronucl_T1_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T1_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE heteronucl_t1_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_t1_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t1rho_experimentType) -- Items in the heteronucl_T1rho_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear T1rho values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T1rho_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_t1rho_experiment_sample_state CASCADE; CREATE TYPE ENUM_heteronucl_t1rho_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE heteronucl_t1rho_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_heteronucl_t1rho_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE heteronucl_t1rho_list_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t1rho_listType) -- Items in the heteronucl_T1rho_list category provide information about a list of reported heteronuclear T1rho values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T1rho_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_t1rho_list_rex_units CASCADE; CREATE TYPE ENUM_heteronucl_t1rho_list_rex_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); DROP TYPE IF EXISTS ENUM_heteronucl_t1rho_list_t1rho_coherence_type CASCADE; CREATE TYPE ENUM_heteronucl_t1rho_list_t1rho_coherence_type AS ENUM ( 'I(+,-)', 'S(+,-)', 'na' ); DROP TYPE IF EXISTS ENUM_heteronucl_t1rho_list_t1rho_val_units CASCADE; CREATE TYPE ENUM_heteronucl_t1rho_list_t1rho_val_units AS ENUM ( 's-1', 'ms-1', 's', 'ms' ); DROP TYPE IF EXISTS ENUM_heteronucl_t1rho_list_temp_calibration_method CASCADE; CREATE TYPE ENUM_heteronucl_t1rho_list_temp_calibration_method AS ENUM ( 'methanol', 'monoethylene glycol', 'no calibration applied' ); DROP TYPE IF EXISTS ENUM_heteronucl_t1rho_list_temp_control_method CASCADE; CREATE TYPE ENUM_heteronucl_t1rho_list_temp_control_method AS ENUM ( 'single scan interleaving', 'temperature compensation block', 'no temperature control applied' ); CREATE TABLE heteronucl_t1rho_list ( details TEXT , name TEXT , rex_units ENUM_heteronucl_t1rho_list_rex_units , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , t1rho_coherence_type ENUM_heteronucl_t1rho_list_t1rho_coherence_type , t1rho_val_units ENUM_heteronucl_t1rho_list_t1rho_val_units , temp_calibration_method ENUM_heteronucl_t1rho_list_temp_calibration_method , temp_control_method ENUM_heteronucl_t1rho_list_temp_control_method , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t1rho_softwareType) -- Items in the heteronucl_T1rho_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T1rho_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE heteronucl_t1rho_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_t1rho_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t2_experimentType) -- Items in the heteronucl_T2_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear T2 relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T2_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_t2_experiment_sample_state CASCADE; CREATE TYPE ENUM_heteronucl_t2_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE heteronucl_t2_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_heteronucl_t2_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE heteronucl_t2_list_id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t2_listType) -- Items in the heteronucl_T2_list category provide information about a list of reported heteronuclear T2 relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T2_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_heteronucl_t2_list_rex_units CASCADE; CREATE TYPE ENUM_heteronucl_t2_list_rex_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); DROP TYPE IF EXISTS ENUM_heteronucl_t2_list_t2_coherence_type CASCADE; CREATE TYPE ENUM_heteronucl_t2_list_t2_coherence_type AS ENUM ( 'I(+,-)', 'S(+,-)', 'na' ); DROP TYPE IF EXISTS ENUM_heteronucl_t2_list_t2_val_units CASCADE; CREATE TYPE ENUM_heteronucl_t2_list_t2_val_units AS ENUM ( 's-1', 'ms-1', 's', 'ms' ); DROP TYPE IF EXISTS ENUM_heteronucl_t2_list_temp_calibration_method CASCADE; CREATE TYPE ENUM_heteronucl_t2_list_temp_calibration_method AS ENUM ( 'methanol', 'monoethylene glycol', 'no calibration applied' ); DROP TYPE IF EXISTS ENUM_heteronucl_t2_list_temp_control_method CASCADE; CREATE TYPE ENUM_heteronucl_t2_list_temp_control_method AS ENUM ( 'single scan interleaving', 'temperature compensation block', 'no temperature control applied' ); CREATE TABLE heteronucl_t2_list ( details TEXT , name TEXT , rex_units ENUM_heteronucl_t2_list_rex_units , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , t2_coherence_type ENUM_heteronucl_t2_list_t2_coherence_type , t2_val_units ENUM_heteronucl_t2_list_t2_val_units , temp_calibration_method ENUM_heteronucl_t2_list_temp_calibration_method , temp_control_method ENUM_heteronucl_t2_list_temp_control_method , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from heteronucl_t2_softwareType) -- Items in the heteronucl_T2_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Heteronucl_T2_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE heteronucl_t2_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_t2_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from historyType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=History -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_history_software_name CASCADE; CREATE TYPE ENUM_history_software_name AS ENUM ( 'AMBER', 'AngleSearch', 'ANSIG', 'Analysis', 'AQUA', 'ARIA', 'AURELIA', 'AUREMOL', 'AutoAssign', 'AutoStructure', 'AVS', 'AZARA', 'BIRDER', 'CARA', 'CAPP', 'CING', 'CcpNMR', 'CNS', 'CNSSOLVE', 'CORMA', 'CSI', 'CS-Rosetta', 'CURVES', 'CYANA', 'DGII', 'DIAMOD', 'DISCOVER', 'DYANA', 'DYNAMO', 'EMBOSS', 'FANTOM', 'Felix', 'GARANT', 'Gaussian', 'GIFA', 'HADDOCK', 'HYPER', 'InsightII', 'MARDIGRAS', 'ModelFree', 'Molmol', 'MORASS', 'NDEE', 'NMRbox', 'NMRDraw', 'NMRPipe', 'NMRView', 'NOAH', 'NOEID', 'NUCFIT', 'NUTS', 'OPAL', 'PECAN', 'PINE', 'PIPP', 'PISTACHIO', 'Procheck', 'ProcheckNMR', 'P-ROI', 'PRONTO', 'PROSA', 'PSVS', 'QUEEN', 'Relax', 'RESCUE', 'SANE', 'SPARKY', 'SPARTA', 'SPARTA+', 'SPSCAN', 'SYBYL', 'TALOS', 'TOPSPIN', 'UXNMR', 'VNMR', 'WhatIF', 'Wattos', 'XEASY', 'X-PLOR', 'X-PLOR NIH', 'xwinnmr' ); CREATE TABLE history ( method_id INTEGER , method_label TEXT , script TEXT , script_name TEXT , software_label TEXT , software_name ENUM_history_software_name , software_version TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE run_number INTEGER NOT NULL , -- ATTRIBUTE software_applied_history_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from homonucl_noeType) -- Items in the homonucl_NOE category capture homonuclear NOE values for pairs of nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Homonucl_NOE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE homonucl_noe ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , val_max DECIMAL , val_min DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE homonucl_noe_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from homonucl_noe_experimentType) -- Items in the homonucl_NOE_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported homonuclear NOE values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Homonucl_NOE_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE homonucl_noe_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE homonucl_noe_list_id INTEGER NOT NULL ); -- -- (quoted from homonucl_noe_listType) -- Items in the homonucl_NOE_list category provide information about a list of reported homonuclear NOE values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Homonucl_NOE_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_homonucl_noe_list_homonuclear_noe_val_type CASCADE; CREATE TYPE ENUM_homonucl_noe_list_homonuclear_noe_val_type AS ENUM ( 'peak volume', 'peak height', 'contour count', 'na' ); CREATE TABLE homonucl_noe_list ( details TEXT , homonuclear_noe_val_type ENUM_homonucl_noe_list_homonuclear_noe_val_type , name TEXT , noe_ref_description TEXT , noe_ref_val DECIMAL , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from homonucl_noe_softwareType) -- Items in the homonucl_NOE_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Homonucl_NOE_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE homonucl_noe_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE homonucl_noe_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from interatomic_distType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Interatomic_dist -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE interatomic_dist ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , set_id INTEGER , val DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE interatomic_distance_list_id INTEGER NOT NULL ); -- -- (quoted from interatomic_distance_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Interatomic_distance_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE interatomic_distance_list ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from isotope_effectType) -- Items in the atom_chem_shift category describe the chemical shift value assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Isotope_effect -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE isotope_effect ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , chem_shift_val DECIMAL , chem_shift_val_err DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , label_1_id_chem_shift_val DECIMAL , label_1_id_chem_shift_val_err DECIMAL , label_2_id_chem_shift_val DECIMAL , label_2_id_chem_shift_val_err DECIMAL , label_pattern_id_1 INTEGER , label_pattern_id_2 INTEGER , label_sample_id_1 INTEGER , label_sample_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id INTEGER , -- ATTRIBUTE chem_shift_isotope_effect_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from isotope_effect_experimentType) -- Items in the isotope_effect_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of chemical shift data that report the effect of isotopic substitutions in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Isotope_effect_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_isotope_effect_experiment_sample_state CASCADE; CREATE TYPE ENUM_isotope_effect_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE isotope_effect_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_isotope_effect_experiment_sample_state , -- ATTRIBUTE chem_shift_isotope_effect_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL ); -- -- (quoted from isotope_effect_softwareType) -- Items in the isotope_effect_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Isotope_effect_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE isotope_effect_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE chem_shift_isotope_effect_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from isotope_label_patternType) -- Items in the isotope_label_pattern define the isotope number of the atoms in the molecules studied. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Isotope_label_pattern -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE isotope_label_pattern ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , seq_id INTEGER , -- ATTRIBUTE chem_shift_isotope_effect_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from j_three_bond_constraintType) -- Items in the J_three_bond_constraint category describe the scalar three-bond coupling constant values used as constraints in calculating the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=J_three_bond_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE j_three_bond_constraint ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , assembly_atom_id_3 INTEGER , assembly_atom_id_4 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , atom_id_4 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , atom_type_3 TEXT , atom_type_4 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_asym_id_3 TEXT , auth_asym_id_4 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_atom_id_3 TEXT , auth_atom_id_4 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_comp_id_3 TEXT , auth_comp_id_4 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_entity_assembly_id_3 INTEGER , auth_entity_assembly_id_4 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , auth_seq_id_3 TEXT , auth_seq_id_4 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_id_3 TEXT , comp_id_4 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , comp_index_id_3 INTEGER , comp_index_id_4 INTEGER , coupling_constant_err DECIMAL , coupling_constant_lower_bound DECIMAL , coupling_constant_upper_bound DECIMAL , coupling_constant_val DECIMAL , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_assembly_id_3 INTEGER , entity_assembly_id_4 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , entity_id_3 INTEGER , entity_id_4 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , resonance_id_3 INTEGER , resonance_id_4 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , seq_id_3 INTEGER , seq_id_4 INTEGER , source_experiment_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE j_three_bond_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from j_three_bond_constraint_exptType) -- Items in the J_three_bond_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of J three bond constraints. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=J_three_bond_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_j_three_bond_constraint_expt_sample_state CASCADE; CREATE TYPE ENUM_j_three_bond_constraint_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE j_three_bond_constraint_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_j_three_bond_constraint_expt_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE j_three_bond_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from j_three_bond_constraint_listType) -- Items in the J_three_bond_constraint_list category provide information about a list of reported scalar three bond coupling constant constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=J_three_bond_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE j_three_bond_constraint_list ( block_id INTEGER , constraint_file_id INTEGER , data_file_format TEXT , details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from j_three_bond_constraint_softwareType) -- Items in the J_three_bond_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=J_three_bond_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE j_three_bond_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE j_three_bond_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from karplus_equationType) -- Items in the Karplus_equation category define the Karplus equation used to convert coupling constant values into torsion angle values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Karplus_equation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE karplus_equation ( citation_id INTEGER , citation_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE torsion_angle_code TEXT NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from lacs_charType) -- NOT AVAILABLE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE lacs_char ( assembly_id INTEGER , comp_id TEXT , comp_index_id INTEGER , designator TEXT , entity_assembly_id INTEGER , entity_id INTEGER , sf_id INTEGER , x_coord_val DECIMAL , y_coord_val DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE lacs_plot_id INTEGER NOT NULL ); -- -- (quoted from lacs_plotType) -- NOT AVAILABLE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE lacs_plot ( details TEXT , electronic_address TEXT , input_file_name TEXT , line_1_terminator_val_x_1 DECIMAL , line_1_terminator_val_x_2 DECIMAL , line_1_terminator_val_y_1 DECIMAL , line_1_terminator_val_y_2 DECIMAL , line_2_terminator_val_x_1 DECIMAL , line_2_terminator_val_x_2 DECIMAL , line_2_terminator_val_y_1 DECIMAL , line_2_terminator_val_y_2 DECIMAL , output_file_name TEXT , -- map XSD date (xsd:date) to SQL DATE queried_date DATE , sf_category TEXT , sf_framecode TEXT , sf_id INTEGER , -- map XSD date (xsd:date) to SQL DATE source_release_date DATE , source_release_designation TEXT , x_coord_name TEXT , y_axis_chem_shift_offset DECIMAL , y_coord_name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from local_structure_qualityType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Local_structure_quality -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_local_structure_quality_type CASCADE; CREATE TYPE ENUM_local_structure_quality_type AS ENUM ( 'not observed', 'not well defined', 'low restraint density', 'well defined', 'high restraint density' ); CREATE TABLE local_structure_quality ( asym_id TEXT , comp_index_id_begin INTEGER , comp_index_id_end INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , entity_label TEXT , type ENUM_local_structure_quality_type , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from mass_specType) -- Items in the mass_spec category provide meta information about the mass spectrometer described. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spec -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_mass_spec_manufacturer CASCADE; CREATE TYPE ENUM_mass_spec_manufacturer AS ENUM ( 'Alpha Omega Technologies Inc.', 'Agilent', 'Analytica of Branford', 'Bear Instruments', 'Bergmann Messgeraete Entwicklung', 'Bruker Daltonics', 'Ciphergen Biosystems', 'Charles Evans & Associates', 'Comstock Inc.', 'In-Situ', 'Micromass', 'Hitachi Instruments', 'JEOL USA', 'Kore Technology Ltd.', 'Kratos Analytical', 'LECO', 'MKS Instruments', 'PE Biosystems', 'Perkin Elmer', 'Prolab Resources', 'Sensar Larson Davis', 'Shimadzu Scientific Instruments Inc.', 'Thermo Scientific' ); DROP TYPE IF EXISTS ENUM_mass_spec_type CASCADE; CREATE TYPE ENUM_mass_spec_type AS ENUM ( 'Q-TOF', 'ion TRAP', 'FTMS', 'Quadrupole' ); CREATE TABLE mass_spec ( details TEXT , manufacturer ENUM_mass_spec_manufacturer , model TEXT , name TEXT , serial_number TEXT , sf_category TEXT , sf_framecode TEXT , type ENUM_mass_spec_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from mass_spec_citationType) -- Items in the mass_spec_citation category provide pointers to citations where the mass spectrometer is described. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spec_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mass_spec_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE mass_spec_id INTEGER NOT NULL ); -- -- (quoted from mass_spec_component_paramType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spec_component_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mass_spec_component_param ( name TEXT , value TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mass_spec_config_id INTEGER NOT NULL , -- ATTRIBUTE mass_spec_id INTEGER NOT NULL ); -- -- (quoted from mass_spec_configType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spec_config -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_mass_spec_config_component_type CASCADE; CREATE TYPE ENUM_mass_spec_config_component_type AS ENUM ( 'source', 'analyzer', 'detector' ); CREATE TABLE mass_spec_config ( component_name TEXT , component_type ENUM_mass_spec_config_component_type , ordinal INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mass_spec_id INTEGER NOT NULL ); -- -- (quoted from mass_spec_ref_compdType) -- Items in the mass_spec_ref_compd category records information about the compounds used as references in a mass spectrometry experiment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spec_ref_compd -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mass_spec_ref_compd ( mono_isotopic_mass DECIMAL , name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mass_spec_ref_compd_set_id INTEGER NOT NULL ); -- -- (quoted from mass_spec_ref_compd_setType) -- Items in the mass_spec_ref_compd_set category provide meta data regarding a set of reference compounds used in carrying out mass spectrometry experiments. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spec_ref_compd_set -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mass_spec_ref_compd_set ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from mass_spec_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spec_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mass_spec_software ( software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE mass_spec_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from mass_spectrometer_listType) -- Items in the mass_spectrometer_list category provide meta information regarding the reported list of mass spectrometers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spectrometer_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mass_spectrometer_list ( id INTEGER , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from mass_spectrometer_viewType) -- Items in the mass_spectrometer_view category provide the characteristics of mass spectrometers used to collect data reported in an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Mass_spectrometer_view -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_mass_spectrometer_view_fragmentation_method CASCADE; CREATE TYPE ENUM_mass_spectrometer_view_fragmentation_method AS ENUM ( 'CID', 'ETD', 'IRMPD' ); DROP TYPE IF EXISTS ENUM_mass_spectrometer_view_manufacturer CASCADE; CREATE TYPE ENUM_mass_spectrometer_view_manufacturer AS ENUM ( 'Alpha Omega Technologies Inc.', 'Agilent', 'Analytica of Branford', 'Bear Instruments', 'Bergmann Messgeraete Entwicklung', 'Bruker Daltonics', 'Ciphergen Biosystems', 'Charles Evans & Associates', 'Comstock Inc.', 'In-Situ', 'Micromass', 'Hitachi Instruments', 'JEOL USA', 'Kore Technology Ltd.', 'Kratos Analytical', 'LECO', 'MKS Instruments', 'PE Biosystems', 'Perkin Elmer', 'Prolab Resources', 'Sensar Larson Davis', 'Shimadzu Scientific Instruments Inc.', 'Thermo Scientific' ); DROP TYPE IF EXISTS ENUM_mass_spectrometer_view_type CASCADE; CREATE TYPE ENUM_mass_spectrometer_view_type AS ENUM ( 'Q-TOF', 'ion TRAP', 'FTMS', 'Quadrupole' ); CREATE TABLE mass_spectrometer_view ( citation_id INTEGER , citation_label TEXT , details TEXT , fragmentation_method ENUM_mass_spectrometer_view_fragmentation_method , ionization_method TEXT , manufacturer ENUM_mass_spectrometer_view_manufacturer , model TEXT , name TEXT , serial_number TEXT , spectrum_type TEXT , type ENUM_mass_spectrometer_view_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mass_spectrometer_list_id INTEGER NOT NULL ); -- -- (quoted from matched_entriesType) -- Items in the matched_entries category provide a list of entries from databases that are matched representing that the data in the entries came from the same experimental study and the same publication. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Matched_entries -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_matched_entries_database_name CASCADE; CREATE TYPE ENUM_matched_entries_database_name AS ENUM ( 'PDB' ); CREATE TABLE matched_entries ( -- ATTRIBUTE database_accession_code TEXT NOT NULL , -- ATTRIBUTE database_name ENUM_matched_entries_database_name NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from methodType) -- Items in the method category provide meta data about the reported method. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Method -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE method ( computer_id INTEGER , computer_label TEXT , derivation_type TEXT , details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from method_citationType) -- Items in the method_citation category provide pointers to the citations where the method is described. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Method_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE method_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE method_id INTEGER NOT NULL ); -- -- (quoted from method_fileType) -- Items in the method_file category provide information regarding external files that contain the reported method. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Method_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE method_file ( id INTEGER , text TEXT , text_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE method_id INTEGER NOT NULL , -- ATTRIBUTE name TEXT NOT NULL ); -- -- (quoted from method_paramType) -- Items in the method_parameter category provide information regarding an external file that contains the parameters for the reported method. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Method_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE method_param ( text TEXT , text_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE file_name TEXT NOT NULL , -- ATTRIBUTE method_id INTEGER NOT NULL ); -- -- (quoted from model_typeType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Model_type -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_model_type_type CASCADE; CREATE TYPE ENUM_model_type_type AS ENUM ( 'experimental ensemble member', 'representative lowest energy', 'representative closest to the mean', 'representative average minimized', 'representative lowest overall target function' ); CREATE TABLE model_type ( conformer_family_coord_set_id INTEGER , -- IN-PLACE DOCUMENT KEY entry_id TEXT , -- ATTRIBUTE atom_site_model_id INTEGER NOT NULL , -- ATTRIBUTE type ENUM_model_type_type NOT NULL ); -- -- (quoted from ms_chrom_ion_annotationType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_chrom_ion_annotation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ms_chrom_ion_annotation ( chemical_composition TEXT , comp_id TEXT , comp_index_id INTEGER , entity_id INTEGER , ms_chromatogram_ion_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE ms_chromatogram_list_id INTEGER NOT NULL ); -- -- (quoted from ms_chromatogram_experimentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_chromatogram_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ms_chromatogram_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE ms_chromatogram_list_id INTEGER NOT NULL ); -- -- (quoted from ms_chromatogram_ionType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_chromatogram_ion -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ms_chromatogram_ion ( full_width_half_maximum DECIMAL , mz_intensity DECIMAL , mz_ratio DECIMAL , mz_ratio_err DECIMAL , mz_relative_intensity DECIMAL , s_n_ratio DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE ms_chromatogram_list_id INTEGER NOT NULL ); -- -- (quoted from ms_chromatogram_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_chromatogram_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_ms_chromatogram_list_text_data_format CASCADE; CREATE TYPE ENUM_ms_chromatogram_list_text_data_format AS ENUM ( 'mzML', 'mzDAta' ); CREATE TABLE ms_chromatogram_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format ENUM_ms_chromatogram_list_text_data_format , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from ms_chromatogram_paramType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_chromatogram_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ms_chromatogram_param ( name TEXT , units TEXT , value TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE ms_chromatogram_list_id INTEGER NOT NULL ); -- -- (quoted from ms_chromatogram_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_chromatogram_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ms_chromatogram_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE ms_chromatogram_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from ms_exptType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_ms_expt_spectrum_type CASCADE; CREATE TYPE ENUM_ms_expt_spectrum_type AS ENUM ( 'single scan', 'composite', 'ramp' ); CREATE TABLE ms_expt ( mass_spec_id INTEGER , mass_spec_label TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , spectrum_type ENUM_ms_expt_spectrum_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from ms_expt_paramType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_expt_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_ms_expt_param_name CASCADE; CREATE TYPE ENUM_ms_expt_param_name AS ENUM ( 'ion mode', 'flow rate', 'flow rate units', 'collision energy', 'collision energy units', 'fragmentation method', 'ionization method', 'detection method', 'mass range minimum', 'mass range maximum', 'mass reference introduction method' ); CREATE TABLE ms_expt_param ( name ENUM_ms_expt_param_name , type TEXT , value TEXT , value_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE ms_expt_id INTEGER NOT NULL ); -- -- (quoted from ms_expt_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MS_expt_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ms_expt_software ( details TEXT , method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE ms_expt_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from mz_precursor_ionType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_precursor_ion -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_precursor_ion ( full_width_half_maximum DECIMAL , intensity DECIMAL , mz_ratio DECIMAL , mz_ratio_err DECIMAL , relative_intensity DECIMAL , s_n_ratio DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mz_ratio_data_list_id INTEGER NOT NULL ); -- -- (quoted from mz_precursor_ion_annotationType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_precursor_ion_annotation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_precursor_ion_annotation ( chemical_composition TEXT , comp_id TEXT , comp_index_id INTEGER , entity_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mz_precursor_ion_id INTEGER NOT NULL , -- ATTRIBUTE mz_ratio_data_list_id INTEGER NOT NULL ); -- -- (quoted from mz_product_ionType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_product_ion -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_product_ion ( full_width_half_maximum DECIMAL , intensity DECIMAL , mz_ratio DECIMAL , mz_ratio_err DECIMAL , relative_intensity DECIMAL , s_n_ratio DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mz_ratio_data_list_id INTEGER NOT NULL ); -- -- (quoted from mz_product_ion_annotationType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_product_ion_annotation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_product_ion_annotation ( chemical_composition TEXT , comp_id TEXT , comp_index_id INTEGER , entity_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mz_product_ion_id INTEGER NOT NULL , -- ATTRIBUTE mz_ratio_data_list_id INTEGER NOT NULL ); -- -- (quoted from mz_ratio_data_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_ratio_data_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_ratio_data_list ( details TEXT , error_derivation_method TEXT , intensity_units TEXT , mass_spec_ref_compd_id INTEGER , mass_spec_ref_compd_set_id INTEGER , mass_spec_ref_compd_set_label TEXT , mz_error_units TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from mz_ratio_experimentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_ratio_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_ratio_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE mz_ratio_data_list_id INTEGER NOT NULL ); -- -- (quoted from mz_ratio_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_ratio_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_ratio_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE mz_ratio_data_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from mz_ratio_spectrum_paramType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=MZ_ratio_spectrum_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE mz_ratio_spectrum_param ( name TEXT , units TEXT , value TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE mz_ratio_data_list_id INTEGER NOT NULL ); -- -- (quoted from natural_source_dbType) -- Items in the natural_source_db category define links to databases that contain information about the organisms and entities that are the natural source for molecular entities. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Natural_source_db -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE natural_source_db ( database_type TEXT , entity_chimera_segment_id INTEGER , entity_id INTEGER , entity_label TEXT , entry_type TEXT , gene_cdna_code TEXT , gene_locus_code TEXT , orf_code TEXT , -- ATTRIBUTE database_code TEXT NOT NULL , -- ATTRIBUTE entity_natural_src_id INTEGER NOT NULL , -- ATTRIBUTE entity_natural_src_list_id INTEGER NOT NULL , -- ATTRIBUTE entry_code TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from nmr_experiment_citationType) -- Items in the NMR_experiment_citation category define pointers to citations described in an entry that provide information about the NMR experiment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_experiment_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE nmr_experiment_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE nmr_spec_expt_id INTEGER NOT NULL ); -- -- (quoted from nmr_experiment_fileType) -- Items in the NMR_experiment_file category define the electronic files used to carry out or produced by an NMR spectrometer experiment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_experiment_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_nmr_experiment_file_type CASCADE; CREATE TYPE ENUM_nmr_experiment_file_type AS ENUM ( 'NMR experiment directory', 'Time-domain (raw spectral data)', 'Pulse sequence image file', 'Pulse sequence', 'Pulse field gradient', 'Peak list', 'Spectral image', 'Acquisition parameters', 'Processing parameters', 'na' ); CREATE TABLE nmr_experiment_file ( byte_order TEXT , bytes_per_data_point INTEGER , compression_algorithm TEXT , details TEXT , directory_path TEXT , file_header_size INTEGER , record_header_size INTEGER , record_trailer_size INTEGER , type ENUM_nmr_experiment_file_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE nmr_spec_expt_id INTEGER NOT NULL ); -- -- (quoted from nmr_expt_systematic_nameType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_expt_systematic_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_nmr_expt_systematic_name_naming_system CASCADE; CREATE TYPE ENUM_nmr_expt_systematic_name_naming_system AS ENUM ( 'CCPN convention' ); CREATE TABLE nmr_expt_systematic_name ( -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE naming_system ENUM_nmr_expt_systematic_name_naming_system NOT NULL , -- ATTRIBUTE nmr_spec_expt_id INTEGER NOT NULL ); -- -- (quoted from nmr_probeType) -- Items in the NMR_probe category describe the type of probe. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_probe -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_nmr_probe_type CASCADE; CREATE TYPE ENUM_nmr_probe_type AS ENUM ( 'transmission line', 'home built', 'triple resonance', 'double resonance', 'inverse coil', 'solenoid coil', 'saddle coil', 'room temperature', 'cryogenically cooled', 'na' ); CREATE TABLE nmr_probe ( -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE nmr_spectrometer_probe_id INTEGER NOT NULL , -- ATTRIBUTE type ENUM_nmr_probe_type NOT NULL ); -- -- (quoted from nmr_spec_exptType) -- Items in the NMR_spec_expt category provide detailed information about an NMR spectrometer experiment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spec_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_nmr_spec_expt_nmr_tube_type CASCADE; CREATE TYPE ENUM_nmr_spec_expt_nmr_tube_type AS ENUM ( 'cylindrical microcell', 'Shigemi', 'spherical microcell', 'standard cylindrical' ); DROP TYPE IF EXISTS ENUM_nmr_spec_expt_sample_volume_units CASCADE; CREATE TYPE ENUM_nmr_spec_expt_sample_volume_units AS ENUM ( 'uL', 'mL' ); DROP TYPE IF EXISTS ENUM_nmr_spec_expt_type CASCADE; CREATE TYPE ENUM_nmr_spec_expt_type AS ENUM ( 'NOE', 'COSY' ); CREATE TABLE nmr_spec_expt ( carrier_freq_switch_time DECIMAL , details TEXT , method_id INTEGER , method_label TEXT , name TEXT , nmr_spectrometer_id INTEGER , nmr_spectrometer_label TEXT , nmr_spectrometer_probe_id INTEGER , nmr_spectrometer_probe_label TEXT , nmr_tube_type ENUM_nmr_spec_expt_nmr_tube_type , pulse_seq_accession_bmrb_code TEXT , sample_angle DECIMAL , sample_spinning_rate DECIMAL , sample_volume DECIMAL , sample_volume_units ENUM_nmr_spec_expt_sample_volume_units , sf_category TEXT , sf_framecode TEXT , software_id INTEGER , software_label TEXT , type ENUM_nmr_spec_expt_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from nmr_spectral_proc_softwareType) -- Items in the NMR_spectral_proc_software category provide pointers to software save frames where the software application(s) used to process the spectral data are described. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectral_proc_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE nmr_spectral_proc_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE nmr_spectral_processing_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from nmr_spectral_processingType) -- Items in the NMR_spectral_processing category define the parameters used in converting the time-domain data from an NMR experiment into frequency domain data or other forms of information. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectral_processing -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE nmr_spectral_processing ( sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from nmr_spectrometerType) -- Items in the NMR_spectrometer category describe an NMR spectrometer used to collect experimental data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectrometer -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_nmr_spectrometer_field_strength CASCADE; CREATE TYPE ENUM_nmr_spectrometer_field_strength AS ENUM ( '400', '500', '600', '700', '750', '800', '850', '900', '920', '950', '1000', '1100', '1200', '200', '250', '300', '350', '450', '550', '720', '590', '470', '360', '270', '140', '120', '90', 'na' ); DROP TYPE IF EXISTS ENUM_nmr_spectrometer_manufacturer CASCADE; CREATE TYPE ENUM_nmr_spectrometer_manufacturer AS ENUM ( 'Bruker', 'GE', 'JEOL', 'Varian', 'Agilent', 'Cambridge', 'Oxford', 'FBML', 'Nicolet', 'Home-built', 'na' ); CREATE TABLE nmr_spectrometer ( details TEXT , field_strength ENUM_nmr_spectrometer_field_strength , manufacturer ENUM_nmr_spectrometer_manufacturer , model TEXT , name TEXT , serial_number TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from nmr_spectrometer_citationType) -- Items in the NMR_spectrometer_citation category provide links to the citations category where literature references describing an NMR spectrometer can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectrometer_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE nmr_spectrometer_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE nmr_spectrometer_id INTEGER NOT NULL ); -- -- (quoted from nmr_spectrometer_listType) -- Items in the NMR_spectrometer_list category define a set of NMR spectrometers and their descriptions. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectrometer_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE nmr_spectrometer_list ( name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from nmr_spectrometer_probeType) -- Items in the NMR_spectrometer_probe category describe an NMR spectrometer probe. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectrometer_probe -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_nmr_spectrometer_probe_manufacturer CASCADE; CREATE TYPE ENUM_nmr_spectrometer_probe_manufacturer AS ENUM ( 'Agilent', 'Bruker', 'DOTY', 'GE', 'JEOL', 'Varian', 'na' ); DROP TYPE IF EXISTS ENUM_nmr_spectrometer_probe_spacer_present CASCADE; CREATE TYPE ENUM_nmr_spectrometer_probe_spacer_present AS ENUM ( 'no', 'yes' ); CREATE TABLE nmr_spectrometer_probe ( details TEXT , diameter DECIMAL , internal_volume DECIMAL , manufacturer ENUM_nmr_spectrometer_probe_manufacturer , model TEXT , name TEXT , rotor_composition TEXT , rotor_length DECIMAL , serial_number TEXT , sf_category TEXT , sf_framecode TEXT , spacer_present ENUM_nmr_spectrometer_probe_spacer_present , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from nmr_spectrometer_probe_citationType) -- Items in the NMR_spectrometer_probe_citation category provide pointers to the citations category. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectrometer_probe_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE nmr_spectrometer_probe_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE nmr_spectrometer_probe_id INTEGER NOT NULL ); -- -- (quoted from nmr_spectrometer_viewType) -- Items in the NMR_spectrometer_view category provide a list of NMR spectrometers and descriptions for each spectrometer in the list. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=NMR_spectrometer_view -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_nmr_spectrometer_view_field_strength CASCADE; CREATE TYPE ENUM_nmr_spectrometer_view_field_strength AS ENUM ( '400', '500', '600', '700', '800', '900', '90', '120', '140', '200', '250', '270', '300', '350', '360', '450', '470', '550', '590', '720', '750', '850', '920', '950', '1000', '1100', 'na' ); DROP TYPE IF EXISTS ENUM_nmr_spectrometer_view_manufacturer CASCADE; CREATE TYPE ENUM_nmr_spectrometer_view_manufacturer AS ENUM ( 'Bruker', 'GE', 'JEOL', 'Varian', 'Agilent', 'Cambridge', 'Oxford', 'FBML', 'Nicolet', 'Home-built', 'na' ); CREATE TABLE nmr_spectrometer_view ( citation_id INTEGER , citation_label TEXT , details TEXT , field_strength ENUM_nmr_spectrometer_view_field_strength , manufacturer ENUM_nmr_spectrometer_view_manufacturer , model TEXT , serial_number TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE nmr_spectrometer_list_id INTEGER NOT NULL ); -- -- (quoted from observed_conformerType) -- Items in the observed_conformer category define the individual conformer(s) where the reported interactions are observed. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Observed_conformer -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE observed_conformer ( -- ATTRIBUTE atom_site_model_id INTEGER NOT NULL , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE structure_interaction_id INTEGER NOT NULL , -- ATTRIBUTE structure_interaction_list_id INTEGER NOT NULL ); -- -- (quoted from order_paramType) -- Items in the order_param category describe the order parameter values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Order_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE order_param ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , model_fit TEXT , model_free_sum_squared_errs DECIMAL , order_param_val DECIMAL , order_param_val_fit_err DECIMAL , resonance_id INTEGER , rex_val DECIMAL , rex_val_fit_err DECIMAL , seq_id INTEGER , sf2_val DECIMAL , sf2_val_fit_err DECIMAL , sh2_val DECIMAL , sh2_val_fit_err DECIMAL , sn2_val DECIMAL , sn2_val_fit_err DECIMAL , ss2_val DECIMAL , ss2_val_fit_err DECIMAL , tau_e_val DECIMAL , tau_e_val_fit_err DECIMAL , tau_f_val DECIMAL , tau_f_val_fit_err DECIMAL , tau_s_val DECIMAL , tau_s_val_fit_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE order_parameter_list_id INTEGER NOT NULL ); -- -- (quoted from order_parameter_experimentType) -- Items in the order_parameter_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported order parameters. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Order_parameter_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_order_parameter_experiment_sample_state CASCADE; CREATE TYPE ENUM_order_parameter_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE order_parameter_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_order_parameter_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE order_parameter_list_id INTEGER NOT NULL ); -- -- (quoted from order_parameter_listType) -- Items in the order_parameter_list category provide information about a list of reported order parameter values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Order_parameter_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_order_parameter_list_rex_val_units CASCADE; CREATE TYPE ENUM_order_parameter_list_rex_val_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); DROP TYPE IF EXISTS ENUM_order_parameter_list_tau_e_val_units CASCADE; CREATE TYPE ENUM_order_parameter_list_tau_e_val_units AS ENUM ( 's', 'ms', 'us', 'ns', 'ps' ); DROP TYPE IF EXISTS ENUM_order_parameter_list_tau_f_val_units CASCADE; CREATE TYPE ENUM_order_parameter_list_tau_f_val_units AS ENUM ( 's', 'ms', 'us', 'ns', 'ps' ); DROP TYPE IF EXISTS ENUM_order_parameter_list_tau_s_val_units CASCADE; CREATE TYPE ENUM_order_parameter_list_tau_s_val_units AS ENUM ( 's', 'ms', 'us', 'ns', 'ps' ); CREATE TABLE order_parameter_list ( details TEXT , name TEXT , rex_field_strength TEXT , rex_val_units ENUM_order_parameter_list_rex_val_units , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , tau_e_val_units ENUM_order_parameter_list_tau_e_val_units , tau_f_val_units ENUM_order_parameter_list_tau_f_val_units , tau_s_val_units ENUM_order_parameter_list_tau_s_val_units , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from order_parameter_softwareType) -- Items in the order_parameter_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Order_parameter_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE order_parameter_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE order_parameter_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from org_constr_file_commentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Org_constr_file_comment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE org_constr_file_comment ( block_id INTEGER , comment TEXT , constraint_file_id INTEGER , details TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from other_constraint_exptType) -- Items in the other_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported constraints. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_other_constraint_expt_sample_state CASCADE; CREATE TYPE ENUM_other_constraint_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE other_constraint_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_other_constraint_expt_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE other_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from other_constraint_listType) -- Items in the other_constraint_list category provide information about a list of reported constraint values that do not fit in any of the specifically defined constraint categories. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE other_constraint_list ( block_id INTEGER , constraint_file_id INTEGER , details TEXT , entity_assembly_id INTEGER , entity_id INTEGER , file_format TEXT , file_name TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , subtype TEXT , text_data TEXT , text_data_format TEXT , type TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from other_constraint_softwareType) -- Items in the other_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE other_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE other_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from other_dataType) -- Items in the other_data category describe the values for kinds of experimental data not described in other categories in the dictionary. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_data -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE other_data ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE other_data_type_list_id INTEGER NOT NULL ); -- -- (quoted from other_data_experimentType) -- Items in the other_data_experiment category provide pointers to the NMR experiments and samples used to collect the data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_data_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_other_data_experiment_sample_state CASCADE; CREATE TYPE ENUM_other_data_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE other_data_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_other_data_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE other_data_type_list_id INTEGER NOT NULL ); -- -- (quoted from other_data_softwareType) -- Items in the other_data_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_data_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE other_data_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE other_data_type_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from other_data_type_listType) -- Items in the other_data_type_list category provide information about a list of reported data that do not fit in any of the data categories that are specifically defined in the dictionary. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_data_type_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE other_data_type_list ( definition TEXT , details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from other_struct_featureType) -- Items in the other_struct_feature category define the type of structure feature described and its location in the three-dimensional structure reported. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_struct_feature -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE other_struct_feature ( auth_seq_id TEXT , code TEXT , entity_assembly_id INTEGER , entity_id INTEGER , seq_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE other_struct_feature_list_id INTEGER NOT NULL ); -- -- (quoted from other_struct_feature_listType) -- Items in the other_struct_feature_list category provide information about a list of reported structure features for a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Other_struct_feature_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE other_struct_feature_list ( details TEXT , name TEXT , selection_method TEXT , sf_category TEXT , sf_framecode TEXT , struct_feature_definition TEXT , struct_feature_name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from pb_charType) -- NOT AVAILABLE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_pb_char_pb_code CASCADE; CREATE TYPE ENUM_pb_char_pb_code AS ENUM ( 'a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j', 'k', 'l', 'm', 'n', 'o', 'p' ); CREATE TABLE pb_char ( align TEXT , assembly_id INTEGER , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , pb_code ENUM_pb_char_pb_code , pdb_ins_code TEXT , pdb_model_num INTEGER , pdb_residue_name TEXT , pdb_residue_no TEXT , pdb_strand_id TEXT , sf_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE pb_list_id INTEGER NOT NULL ); -- -- (quoted from pb_listType) -- NOT AVAILABLE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE pb_list ( aa_seq_one_letter_code TEXT , electronic_address TEXT , input_file_name TEXT , output_file_name TEXT , pb_seq_code TEXT , pdb_id TEXT , pdbx_exptl_method TEXT , pdbx_nmr_refine_method TEXT , -- xsd:restriction/xsd:minInclusive="0.0" pdbx_refine_ls_d_res_high DECIMAL CHECK ( pdbx_refine_ls_d_res_high >= 0.0 ) , -- xsd:restriction/xsd:minInclusive="0.0" pdbx_refine_ls_d_res_low DECIMAL CHECK ( pdbx_refine_ls_d_res_low >= 0.0 ) , -- xsd:restriction/xsd:minInclusive="0.0" pdbx_refine_ls_r_factor_r_free DECIMAL CHECK ( pdbx_refine_ls_r_factor_r_free >= 0.0 ) , -- xsd:restriction/xsd:minInclusive="0.0" pdbx_refine_ls_r_factor_r_work DECIMAL CHECK ( pdbx_refine_ls_r_factor_r_work >= 0.0 ) , -- map XSD date (xsd:date) to SQL DATE queried_date DATE , query_id TEXT , sf_category TEXT , sf_framecode TEXT , sf_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from pdbx_chem_comp_featureType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PDBX_chem_comp_feature -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE pdbx_chem_comp_feature ( support TEXT , -- ATTRIBUTE comp_id TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE source TEXT NOT NULL , -- ATTRIBUTE type TEXT NOT NULL , -- ATTRIBUTE value TEXT NOT NULL ); -- -- (quoted from pdbx_nonpoly_schemeType) -- Items in the PDBX_nonpoly_scheme category provide residue level nomenclature mapping for non-polymer entities. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PDBX_nonpoly_scheme -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE pdbx_nonpoly_scheme ( asym_id TEXT , auth_mon_id TEXT , auth_seq_num TEXT , comp_id TEXT , comp_index_id INTEGER , entity_id INTEGER , mon_id TEXT , pdb_ins_code TEXT , pdb_mon_id TEXT , pdb_seq_num TEXT , pdb_strand_id TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE entity_assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from pdbx_poly_seq_schemeType) -- Items in the PDBX_poly_seq_scheme category provide residue level nomenclature mapping for polymer entities. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PDBX_poly_seq_scheme -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_pdbx_poly_seq_scheme_hetero CASCADE; CREATE TYPE ENUM_pdbx_poly_seq_scheme_hetero AS ENUM ( 'no', 'yes' ); CREATE TABLE pdbx_poly_seq_scheme ( asym_id TEXT , auth_mon_id TEXT , auth_seq_num TEXT , comp_id TEXT , comp_label TEXT , entity_id INTEGER , hetero ENUM_pdbx_poly_seq_scheme_hetero , mon_id TEXT , pdb_chain_id TEXT , pdb_ins_code TEXT , pdb_mon_id TEXT , pdb_seq_num TEXT , seq_id INTEGER , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from peakType) -- Items in the peak category define the identification code for the peaks in an NMR spectrum and the figure of merit for each peak. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Peak -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_peak_restraint CASCADE; CREATE TYPE ENUM_peak_restraint AS ENUM ( 'yes', 'no' ); CREATE TABLE peak ( details TEXT , figure_of_merit DECIMAL , index_id INTEGER , restraint ENUM_peak_restraint , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from peak_charType) -- Items in the peak_char category provide quantitative information about the peak that is specific to the dimensions of the spectral data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Peak_char -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_peak_char_coupling_pattern CASCADE; CREATE TYPE ENUM_peak_char_coupling_pattern AS ENUM ( 'd', 'dd', 'ddd', 'dm', 'dt', 'hxt', 'hpt', 'm', 'q', 'qd', 'qn', 's', 'sxt', 't', 'td', 'tt', 'LR', '1JCH' ); CREATE TABLE peak_char ( bounding_box_lower_val DECIMAL , bounding_box_range_val DECIMAL , bounding_box_upper_val DECIMAL , chem_shift_val DECIMAL , chem_shift_val_err DECIMAL , coupling_pattern ENUM_peak_char_coupling_pattern , decay_rate_val DECIMAL , decay_rate_val_err DECIMAL , derivation_method_id INTEGER , details TEXT , line_width_val DECIMAL , line_width_val_err DECIMAL , phase_val TEXT , phase_val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE peak_id INTEGER NOT NULL , -- ATTRIBUTE spectral_dim_id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from peak_constraint_linkType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Peak_constraint_link -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_peak_constraint_link_constraint_sf_category CASCADE; CREATE TYPE ENUM_peak_constraint_link_constraint_sf_category AS ENUM ( 'RDC_constraints', 'general_distance_constraints', 'distance_constraints', 'torsion_angle_constraints' ); DROP TYPE IF EXISTS ENUM_peak_constraint_link_spectral_peak_list_sf_category CASCADE; CREATE TYPE ENUM_peak_constraint_link_spectral_peak_list_sf_category AS ENUM ( 'spectral_peak_list' ); CREATE TABLE peak_constraint_link ( constraint_id INTEGER , constraint_list_id INTEGER , constraint_sf_category ENUM_peak_constraint_link_constraint_sf_category , constraint_sf_framecode TEXT , peak_id INTEGER , spectral_peak_list_id INTEGER , spectral_peak_list_sf_category ENUM_peak_constraint_link_spectral_peak_list_sf_category , spectral_peak_list_sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE peak_constraint_link_list_id INTEGER NOT NULL ); -- -- (quoted from peak_constraint_link_listType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Peak_constraint_link_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE peak_constraint_link_list ( name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from peak_general_charType) -- Items in the peak_general_char category provide quantitative information about the peak that is not specific to individual dimensions of the spectral data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Peak_general_char -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_peak_general_char_measurement_method CASCADE; CREATE TYPE ENUM_peak_general_char_measurement_method AS ENUM ( 'absolute height', 'height', 'relative height', 'volume', 'number of contours', 'integration' ); CREATE TABLE peak_general_char ( intensity_val_err DECIMAL , measurement_method ENUM_peak_general_char_measurement_method , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE intensity_val DECIMAL NOT NULL , -- ATTRIBUTE peak_id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from peak_row_formatType) -- Items in the peak_row_format category describe the characteristics and assignments for the spectral peaks in a single row format. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Peak_row_format -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_peak_row_format_restraint CASCADE; CREATE TYPE ENUM_peak_row_format_restraint AS ENUM ( 'yes', 'no' ); CREATE TABLE peak_row_format ( ambiguity_code_1 INTEGER , ambiguity_code_2 INTEGER , ambiguity_code_3 INTEGER , ambiguity_code_4 INTEGER , ambiguity_code_5 INTEGER , ambiguity_set_id_1 INTEGER , ambiguity_set_id_2 INTEGER , ambiguity_set_id_3 INTEGER , ambiguity_set_id_4 INTEGER , ambiguity_set_id_5 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , atom_id_4 TEXT , atom_id_5 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_id_3 TEXT , comp_id_4 TEXT , comp_id_5 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , comp_index_id_3 INTEGER , comp_index_id_4 INTEGER , comp_index_id_5 INTEGER , details TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_assembly_id_3 INTEGER , entity_assembly_id_4 INTEGER , entity_assembly_id_5 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , entity_id_3 INTEGER , entity_id_4 INTEGER , entity_id_5 INTEGER , figure_of_merit DECIMAL , height DECIMAL , height_uncertainty DECIMAL , index_id INTEGER , position_1 DECIMAL , position_2 DECIMAL , position_3 DECIMAL , position_4 DECIMAL , position_uncertainty_1 DECIMAL , position_uncertainty_2 DECIMAL , position_uncertainty_3 DECIMAL , position_uncertainty_4 DECIMAL , restraint ENUM_peak_row_format_restraint , seq_id_1 INTEGER , seq_id_2 INTEGER , seq_id_3 INTEGER , seq_id_4 INTEGER , seq_id_5 INTEGER , volume DECIMAL , volume_uncertainty DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from ph_paramType) -- Items in the pH_param category define the measured values used to calculate pK values and related parameters. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PH_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ph_param ( observed_nmr_param_val DECIMAL , observed_nmr_param_val_err DECIMAL , ph_titr_result_id INTEGER , ph_val DECIMAL , ph_val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE ph_param_list_id INTEGER NOT NULL ); -- -- (quoted from ph_param_listType) -- Items in the pH_param_list category provided meta data regarding the pH parameter values measured and used to calculate pK values and related parameters. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PH_param_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_ph_param_list_observed_nmr_param CASCADE; CREATE TYPE ENUM_ph_param_list_observed_nmr_param AS ENUM ( 'chemical shift', 'coupling constant', 'peak height', 'peak volume', 'na' ); CREATE TABLE ph_param_list ( details TEXT , name TEXT , observed_nmr_param ENUM_ph_param_list_observed_nmr_param , ph_titration_list_id INTEGER , ph_titration_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from ph_titr_resultType) -- Items in the pH_titr_result category describe the pKa or pHmid values that have been determined and the functional groups involved. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PH_titr_result -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ph_titr_result ( atm_obs_assembly_atom_id INTEGER , atm_obs_atom_id TEXT , atm_obs_atom_isotope_number INTEGER , atm_obs_atom_type TEXT , atm_obs_auth_atom_id TEXT , atm_obs_auth_comp_id TEXT , atm_obs_auth_entity_assembly_id TEXT , atm_obs_auth_seq_id TEXT , atm_obs_comp_id TEXT , atm_obs_comp_index_id INTEGER , atm_obs_entity_assembly_id INTEGER , atm_obs_entity_id INTEGER , atm_obs_seq_id INTEGER , atm_titr_assembly_atom_id INTEGER , atm_titr_atom_id TEXT , atm_titr_atom_isotope_number INTEGER , atm_titr_atom_type TEXT , atm_titr_auth_atom_id TEXT , atm_titr_auth_comp_id TEXT , atm_titr_auth_entity_assembly_id TEXT , atm_titr_auth_seq_id TEXT , atm_titr_comp_id TEXT , atm_titr_comp_index_id INTEGER , atm_titr_entity_assembly_id INTEGER , atm_titr_entity_id INTEGER , atm_titr_seq_id INTEGER , high_ph_param_fit_val DECIMAL , high_ph_param_fit_val_err DECIMAL , hill_coeff_val DECIMAL , hill_coeff_val_fit_err DECIMAL , low_ph_param_fit_val DECIMAL , low_ph_param_fit_val_err DECIMAL , phmid_val DECIMAL , phmid_val_fit_err DECIMAL , pka_val DECIMAL , pka_val_fit_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE ph_titration_list_id INTEGER NOT NULL ); -- -- (quoted from ph_titration_experimentType) -- Items in the pH_titration_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported pH titration experiments. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PH_titration_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_ph_titration_experiment_sample_state CASCADE; CREATE TYPE ENUM_ph_titration_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE ph_titration_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_ph_titration_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE ph_titration_list_id INTEGER NOT NULL ); -- -- (quoted from ph_titration_listType) -- Items in the pH_titration_list category provide information about a list of reported pH titration experimental values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PH_titration_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_ph_titration_list_expt_observed_param CASCADE; CREATE TYPE ENUM_ph_titration_list_expt_observed_param AS ENUM ( 'chemical shift', 'coupling constant', 'peak height', 'peak volume', 'na' ); CREATE TABLE ph_titration_list ( details TEXT , expt_observed_param ENUM_ph_titration_list_expt_observed_param , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from ph_titration_softwareType) -- Items in the pH_titration_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=PH_titration_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ph_titration_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE ph_titration_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from rdcType) -- Items in the RDC category describe the residual dipolar coupling values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rdc ( ambiguity_code_1 TEXT , ambiguity_code_2 TEXT , assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , rdc_code TEXT , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_bond_length DECIMAL , val_err DECIMAL , val_max DECIMAL , val_min DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE rdc_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_constraintType) -- Items in the RDC_constraint category describe the residual dipolar coupling values used as constraints to calculate the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_rdc_constraint_rdc_distant_dependent CASCADE; CREATE TYPE ENUM_rdc_constraint_rdc_distant_dependent AS ENUM ( 'yes', 'no' ); CREATE TABLE rdc_constraint ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_alt_id_1 TEXT , auth_alt_id_2 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_atom_name_1 TEXT , auth_atom_name_2 TEXT , auth_chain_id_1 TEXT , auth_chain_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , combination_id INTEGER , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , id INTEGER , pdb_atom_name_1 TEXT , pdb_atom_name_2 TEXT , pdb_ins_code_1 TEXT , pdb_ins_code_2 TEXT , pdb_model_num_1 INTEGER , pdb_model_num_2 INTEGER , pdb_record_id_1 TEXT , pdb_record_id_2 TEXT , pdb_residue_name_1 TEXT , pdb_residue_name_2 TEXT , pdb_residue_no_1 TEXT , pdb_residue_no_2 TEXT , pdb_strand_id_1 TEXT , pdb_strand_id_2 TEXT , rdc_bond_length DECIMAL , rdc_distant_dependent ENUM_rdc_constraint_rdc_distant_dependent , rdc_lower_bound DECIMAL , rdc_lower_linear_limit DECIMAL , rdc_upper_bound DECIMAL , rdc_upper_linear_limit DECIMAL , rdc_val DECIMAL , rdc_val_err DECIMAL , rdc_val_scale_factor DECIMAL , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , source_experiment_id INTEGER , target_value DECIMAL , target_value_uncertainty DECIMAL , weight DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE index_id INTEGER NOT NULL , -- ATTRIBUTE rdc_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_constraint_comment_orgType) -- Items in the RDC_constraint_comment_org category provide original comments extracted from constraint files containing residual dipolar coupling constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint_comment_org -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rdc_constraint_comment_org ( comment_begin_column INTEGER , comment_begin_line INTEGER , comment_end_column INTEGER , comment_end_line INTEGER , comment_text TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE rdc_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_constraint_conv_errType) -- Items in the RDC_constraint_conv_err category describe errors that occurred in converting the constraints to normalize the data with the atomic coordinates. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint_conv_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rdc_constraint_conv_err ( conv_error_note TEXT , conv_error_type TEXT , parse_file_constraint_id INTEGER , rdc_constr_parse_file_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE rdc_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_constraint_exptType) -- Items in the RDC_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported RDC constraints. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_rdc_constraint_expt_sample_state CASCADE; CREATE TYPE ENUM_rdc_constraint_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE rdc_constraint_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_rdc_constraint_expt_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE rdc_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_constraint_listType) -- Items in the RDC_constraint_list category provide information about a list of reported residual dipolar coupling constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_rdc_constraint_list_constraint_type CASCADE; CREATE TYPE ENUM_rdc_constraint_list_constraint_type AS ENUM ( 'RDC' ); DROP TYPE IF EXISTS ENUM_rdc_constraint_list_potential_type CASCADE; CREATE TYPE ENUM_rdc_constraint_list_potential_type AS ENUM ( 'log-harmonic', 'parabolic', 'square-well-parabolic', 'square-well-parabolic-linear', 'upper-bound-parabolic', 'lower-bound-parabolic', 'upper-bound-parabolic-linear', 'lower-bound-parabolic-linear' ); CREATE TABLE rdc_constraint_list ( assumed_c_n_bond_length DECIMAL , assumed_h_c_bond_length DECIMAL , assumed_h_n_bond_length DECIMAL , block_id INTEGER , bond_length_usage_flag TEXT , constraint_file_id INTEGER , constraint_type ENUM_rdc_constraint_list_constraint_type , data_file_format TEXT , details TEXT , dipolar_constraint_calib_method TEXT , general_order_param_int_motions DECIMAL , mol_align_tensor_axial_sym_mol DECIMAL , mol_align_tensor_rhombic_mol DECIMAL , name TEXT , potential_type ENUM_rdc_constraint_list_potential_type , sf_category TEXT , sf_framecode TEXT , tensor_auth_asym_id TEXT , tensor_auth_comp_id TEXT , tensor_auth_entity_assembly_id TEXT , tensor_auth_seq_id TEXT , tensor_comp_id TEXT , tensor_comp_index_id INTEGER , tensor_entity_assembly_id INTEGER , tensor_magnitude DECIMAL , tensor_rhombicity DECIMAL , tensor_seq_id INTEGER , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from rdc_constraint_parse_errType) -- Items in the RDC_constraint_parse_err category define the content and position of a segment of a residual dipolar coupling constraint file that could not be parsed into NMR-STAR format. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint_parse_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rdc_constraint_parse_err ( begin_column INTEGER , begin_line INTEGER , content TEXT , end_column INTEGER , end_line INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE rdc_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_constraint_parse_fileType) -- Items in the RDC_constraint_parse_file category define the files parsed to generate the NMR-STAR file. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint_parse_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rdc_constraint_parse_file ( name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE rdc_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_constraint_softwareType) -- Items in the RDC_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rdc_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE rdc_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from rdc_experimentType) -- Items in the RDC_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported residual dipolar coupling values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_rdc_experiment_sample_state CASCADE; CREATE TYPE ENUM_rdc_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE rdc_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_rdc_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE rdc_list_id INTEGER NOT NULL ); -- -- (quoted from rdc_listType) -- Items in the RDC_list category provide information about a list of reported residual dipolar coupling values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_rdc_list_bond_length_usage_flag CASCADE; CREATE TYPE ENUM_rdc_list_bond_length_usage_flag AS ENUM ( 'yes', 'no' ); CREATE TABLE rdc_list ( assumed_c_n_bond_length DECIMAL , assumed_h_c_bond_length DECIMAL , assumed_h_n_bond_length DECIMAL , bond_length_usage_flag ENUM_rdc_list_bond_length_usage_flag , details TEXT , dipolar_constraint_calib_method TEXT , general_order_param_int_motions DECIMAL , mol_align_tensor_axial_sym_mol DECIMAL , mol_align_tensor_rhombic_mol DECIMAL , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from rdc_softwareType) -- Items in the RDC_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=RDC_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rdc_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE rdc_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from recoupling_pulse_sequenceType) -- Items in the recoupling_pulse_sequence category define the parameters of a solid-state NMR pulse sequence used to recouple the magnetization between nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Recoupling_pulse_sequence -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE recoupling_pulse_sequence ( nucleus TEXT , type TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE nmr_spec_expt_id INTEGER NOT NULL , -- ATTRIBUTE time_period TEXT NOT NULL ); -- -- (quoted from related_entriesType) -- Items in the related_entries category provide a list of entries that are related to the present entry. The related entries may or may not be members of a study that includes the present entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Related_entries -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_related_entries_database_name CASCADE; CREATE TYPE ENUM_related_entries_database_name AS ENUM ( 'BMRB', 'BMRB(withdrawn)', 'PDB', 'TargetDB', 'EMDB', 'BMCD', 'GB', 'DBJ', 'EMBL', 'NCBI', 'PIR', 'REF', 'SGD', 'SP', 'Pfam', 'InterPro', 'Taxonomy' ); CREATE TABLE related_entries ( relationship TEXT , -- ATTRIBUTE database_accession_code TEXT NOT NULL , -- ATTRIBUTE database_name ENUM_related_entries_database_name NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from releaseType) -- Items in the release category provide the release history for an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Release -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_release_format_type CASCADE; CREATE TYPE ENUM_release_format_type AS ENUM ( 'NMR-STAR', 'XML' ); DROP TYPE IF EXISTS ENUM_release_type CASCADE; CREATE TYPE ENUM_release_type AS ENUM ( 'original', 'na', 'update', 'revision', 'reformat' ); CREATE TABLE release ( author TEXT , -- map XSD date (xsd:date) to SQL DATE date DATE , detail TEXT , format_type ENUM_release_format_type , format_version TEXT , -- map XSD date (xsd:date) to SQL DATE submission_date DATE , type ENUM_release_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE release_number INTEGER NOT NULL ); -- -- (quoted from rep_confType) -- Items in the rep_conf category provide the atomic coordinates for the reported representative conformer. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Rep_conf -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rep_conf ( assembly_atom_id INTEGER , atom_cartn_x DECIMAL , atom_cartn_x_esd DECIMAL , atom_cartn_y DECIMAL , atom_cartn_y_esd DECIMAL , atom_cartn_z DECIMAL , atom_cartn_z_esd DECIMAL , atom_coord_footnote_id INTEGER , atom_id TEXT , atom_position_uncertainty DECIMAL , atom_site_id INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id INTEGER , auth_seq_id TEXT , chem_comp_pdb_id_code TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , seq_id INTEGER , -- ATTRIBUTE atom_coordinate_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE representative_conformer_id INTEGER NOT NULL ); -- -- (quoted from rep_conf_refinementType) -- Items in the rep_conf_refinement category describe the refinement methods used in calculating the atomic coordinates for the reported representative conformer. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Rep_conf_refinement -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_rep_conf_refinement_refine_method CASCADE; CREATE TYPE ENUM_rep_conf_refinement_refine_method AS ENUM ( 'distance geometry', 'DGSA-distance geometry simulated annealing', 'simulated annealing', 'molecular dynamics', 'matrix relaxation', 'torsion angle dynamics', 'na' ); CREATE TABLE rep_conf_refinement ( refine_details TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE refine_method ENUM_rep_conf_refinement_refine_method NOT NULL , -- ATTRIBUTE representative_conformer_id INTEGER NOT NULL ); -- -- (quoted from rep_conf_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Rep_conf_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rep_conf_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE representative_conformer_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from rep_coordinate_detailsType) -- Items in the rep_coordinate_details provide additional information about individual atomic coordinates in the reported representative conformer. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Rep_coordinate_details -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE rep_coordinate_details ( footnote TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE footnote_id INTEGER NOT NULL , -- ATTRIBUTE representative_conformer_id INTEGER NOT NULL ); -- -- (quoted from representative_conformerType) -- Items in the representative_conformer category provide meta data regarding the representative conformer atomic coordinates. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Representative_conformer -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_representative_conformer_type CASCADE; CREATE TYPE ENUM_representative_conformer_type AS ENUM ( 'experimental', 'derived experimentally', 'theoretical' ); CREATE TABLE representative_conformer ( atom_pos_uncertainty_derivation TEXT , conformer_family_coord_set_id INTEGER , conformer_family_coord_set_label TEXT , details TEXT , name TEXT , pdb_accession_code TEXT , rep_conformer_derivation TEXT , rep_conformer_file_name TEXT , rep_conformer_original_file TEXT , sf_category TEXT , sf_framecode TEXT , type ENUM_representative_conformer_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from resonanceType) -- Items in the resonance category provide the parent resonance ID value and links to other categories of the resonance system. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Resonance -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE resonance ( name TEXT , resonance_set_id INTEGER , spin_system_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE resonance_linker_list_id INTEGER NOT NULL ); -- -- (quoted from resonance_assignmentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Resonance_assignment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE resonance_assignment ( assembly_atom_id INTEGER , atom_isotope_number INTEGER , atom_set_id INTEGER , atom_type TEXT , comp_id TEXT , entity_id INTEGER , -- ATTRIBUTE atom_id TEXT NOT NULL , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE resonance_linker_list_id INTEGER NOT NULL , -- ATTRIBUTE resonance_set_id INTEGER NOT NULL ); -- -- (quoted from resonance_covalent_linkType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Resonance_covalent_link -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE resonance_covalent_link ( -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE resonance_id_1 INTEGER NOT NULL , -- ATTRIBUTE resonance_id_2 INTEGER NOT NULL , -- ATTRIBUTE resonance_linker_list_id INTEGER NOT NULL ); -- -- (quoted from resonance_linker_listType) -- Items in the resonance_linker_list provide meta information regarding the CCPN system of resonance information used in defining the source of NMR spectral information used to derive peak assignments and various other data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Resonance_linker_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE resonance_linker_list ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from sampleType) -- Items in the sample category describe the characteristics of the samples used to collect experimental data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Sample -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_sample_type CASCADE; CREATE TYPE ENUM_sample_type AS ENUM ( 'solution', 'solid', 'bicelle', 'emulsion', 'fiber', 'filamentous virus', 'gel solution', 'gel solid', 'liposome', 'membrane', 'micelle', 'lyophilized powder', 'oriented membrane film', 'fibrous protein', 'polycrystalline powder', 'reverse micelle', 'single crystal', 'microcrystalline', 'liquid crystal', 'in-cell' ); CREATE TABLE sample ( aggregate_sample_number INTEGER , crystal_grow_apparatus TEXT , crystal_grow_atmosphere TEXT , crystal_grow_details TEXT , crystal_grow_method TEXT , crystal_grow_method_cit_id INTEGER , crystal_grow_ph DECIMAL , crystal_grow_ph_range TEXT , crystal_grow_pressure DECIMAL , crystal_grow_pressure_esd DECIMAL , crystal_grow_seeding TEXT , crystal_grow_seeding_cit_id INTEGER , crystal_grow_temp DECIMAL , crystal_grow_temp_details TEXT , crystal_grow_temp_esd DECIMAL , crystal_grow_time DECIMAL , details TEXT , lyophilization_cryo_protectant TEXT , name TEXT , oriented_sample_prep_protocol TEXT , polycrystallization_protocol TEXT , -- map XSD date (xsd:date) to SQL DATE preparation_date DATE , -- map XSD date (xsd:date) to SQL DATE preparation_expiration_date DATE , sf_category TEXT , sf_framecode TEXT , single_crystal_protocol TEXT , solvent_system TEXT , storage_protocol TEXT , sub_type TEXT , type ENUM_sample_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from sample_citationType) -- Items in the sample_citation category provide links to the citations category where reference citations with information about a sample or its preparation can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Sample_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE sample_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE sample_id INTEGER NOT NULL ); -- -- (quoted from sample_componentType) -- Items in the sample_component category define the components of a sample, their concentration in the sample, and the isotopic labeling for the component. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Sample_component -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_sample_component_concentration_val_units CASCADE; CREATE TYPE ENUM_sample_component_concentration_val_units AS ENUM ( 'M', 'mM', 'uM', 'nM', '%', 'v/v', 'w/v', 'mg', 'ug', 'mg/mL', 'g/L', 'pM', 'w/w', '% v/v', '% w/v', '% w/w', 'mg/L', 'mg/uL', 'ug/mL', 'ug/uL', 'mL', 'uL', 'A260', 'eq', 'ratio', 'saturated', 'tablet/100mL', 'na' ); CREATE TABLE sample_component ( assembly_id INTEGER , assembly_label TEXT , concentration_val TEXT , concentration_val_err DECIMAL , concentration_val_max DECIMAL , concentration_val_min DECIMAL , concentration_val_units ENUM_sample_component_concentration_val_units , entity_id INTEGER , entity_label TEXT , isotopic_labeling TEXT , mol_common_name TEXT , product_id INTEGER , type TEXT , vendor TEXT , vendor_product_code TEXT , vendor_product_name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE sample_id INTEGER NOT NULL ); -- -- (quoted from sample_component_atom_isotopeType) -- Items in the sample_component_atom_isotope category provide information about the isotopic labeling of individual atom in a component of a sample when complex patterns of selective isotopic labeling are used. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Sample_component_atom_isotope -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE sample_component_atom_isotope ( assembly_atom_id INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_entity_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_isotope_label_code TEXT , entity_label TEXT , label_pct DECIMAL , mol_common_name TEXT , seq_id INTEGER , -- ATTRIBUTE atom_id TEXT NOT NULL , -- ATTRIBUTE atom_isotope_number INTEGER NOT NULL , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE sample_component_id INTEGER NOT NULL , -- ATTRIBUTE sample_id INTEGER NOT NULL ); -- -- (quoted from sample_condition_citationType) -- Items in the sample_condition_citation category provide links to the citations category where reference citations with information about a set of sample conditions and their use can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Sample_condition_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE sample_condition_citation ( citation_id INTEGER , citation_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE sample_condition_list_id INTEGER NOT NULL ); -- -- (quoted from sample_condition_listType) -- Items in the sample_conditions_list define a unique set of sample conditions. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Sample_condition_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE sample_condition_list ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from sample_condition_variableType) -- Items in the sample_condition_variable category define specific sample conditions like temperature or pH and the values for the sample conditions used in collecting experimental data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Sample_condition_variable -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_sample_condition_variable_val_units CASCADE; CREATE TYPE ENUM_sample_condition_variable_val_units AS ENUM ( 'Pa', 'bar', 'atm', 'mmHg', 'Torr', 'mbar', 'K', 'C', 'pH', 'M', 'mM', 'P', 'cP', 'm^2/s', 'Pa.s', 'Not defined', 'hPa', 'pD', 'pH*', '%', 's' ); DROP TYPE IF EXISTS ENUM_sample_condition_variable_type CASCADE; CREATE TYPE ENUM_sample_condition_variable_type AS ENUM ( 'pH', 'pH*', 'pD', 'temperature', 'pressure', 'ionic strength', 'viscosity', 'dielectric constant', 'temperature controller setting', 'na' ); CREATE TABLE sample_condition_variable ( val TEXT , val_err TEXT , val_units ENUM_sample_condition_variable_val_units , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE sample_condition_list_id INTEGER NOT NULL , -- ATTRIBUTE type ENUM_sample_condition_variable_type NOT NULL ); -- -- (quoted from saxs_constraintType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=SAXS_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE saxs_constraint ( intensity_val DECIMAL , intensity_val_err DECIMAL , q_value DECIMAL , weight_val DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE saxs_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from saxs_constraint_exptType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=SAXS_constraint_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE saxs_constraint_expt ( experiment_name TEXT , sample_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE sample_id INTEGER NOT NULL , -- ATTRIBUTE saxs_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from saxs_constraint_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=SAXS_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE saxs_constraint_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from saxs_constraint_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=SAXS_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE saxs_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE saxs_constraint_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from saxs_exptType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=SAXS_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_saxs_expt_sample_volume_units CASCADE; CREATE TYPE ENUM_saxs_expt_sample_volume_units AS ENUM ( 'ml' ); CREATE TABLE saxs_expt ( details TEXT , method_id INTEGER , method_label TEXT , name TEXT , sample_volume DECIMAL , sample_volume_units ENUM_saxs_expt_sample_volume_units , sf_category TEXT , sf_framecode TEXT , software_id INTEGER , software_label TEXT , xray_instrument_id INTEGER , xray_instrument_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from secondary_structType) -- Items in the secondary_struct category define the types and locations of the secondary structure elements in the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Secondary_struct -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE secondary_struct ( auth_seq_id_end TEXT , auth_seq_id_start TEXT , code TEXT , comp_index_id_end INTEGER , comp_index_id_start INTEGER , conf_family_coord_set_id INTEGER , conf_family_coord_set_label TEXT , details TEXT , entity_assembly_id INTEGER , entity_id INTEGER , name TEXT , seq_id_end INTEGER , seq_id_start INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE secondary_struct_list_id INTEGER NOT NULL ); -- -- (quoted from secondary_struct_listType) -- Items in the secondary_struct_list category provide information about a list of reported annotations for secondary structural elements found in the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Secondary_struct_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE secondary_struct_list ( name TEXT , representative_conformer_id INTEGER , representative_conformer_label TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from secondary_struct_selType) -- Items in the secondary_struct_sel category provide pointers to the methods used to identify secondary structure elements in the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Secondary_struct_sel -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE secondary_struct_sel ( method_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE method_id INTEGER NOT NULL , -- ATTRIBUTE secondary_struct_list_id INTEGER NOT NULL ); -- -- (quoted from sg_projectType) -- Items in the SG_project category describe the structural genomics project that is the source of the data in an entry. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=SG_project -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_sg_project_initial_of_center CASCADE; CREATE TYPE ENUM_sg_project_initial_of_center AS ENUM ( 'BIGS', 'BSGC', 'CESG', 'ISPC', 'JCSG', 'MSGP', 'MCSG', 'BSGI', 'XMTB', 'NYSGRC', 'NESG', 'OPPF', 'YSG', 'PSF', 'RSGI', 'SECSG', 'SGC', 'SGPP', 'SPINE', 'S2F', 'TBSGC', 'RIKEN GSC', 'CU' ); DROP TYPE IF EXISTS ENUM_sg_project_project_name CASCADE; CREATE TYPE ENUM_sg_project_project_name AS ENUM ( 'not applicable', 'Enzyme Function Initiative', 'PSI:Biology', 'PSI, Protein Structure Initiative', 'NPPSFA, National Project on Protein Structural and Functional A', 'SPINE', 'SPINE2', 'Protein 3000', 'SSGCID', 'NIAID', 'SMolBNet', 'Other' ); CREATE TABLE sg_project ( full_name_of_center TEXT , initial_of_center ENUM_sg_project_initial_of_center , project_name ENUM_sg_project_project_name , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE sg_project_id INTEGER NOT NULL ); -- -- (quoted from softwareType) -- Items in the software category describe software applications. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE software ( details TEXT , doi TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , type TEXT , version TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from software_applied_historyType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Software_applied_history -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE software_applied_history ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from software_applied_listType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Software_applied_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE software_applied_list ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from software_applied_methodsType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Software_applied_methods -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_software_applied_methods_software_name CASCADE; CREATE TYPE ENUM_software_applied_methods_software_name AS ENUM ( 'AMBER', 'AngleSearch', 'ANSIG', 'Analysis', 'AQUA', 'ARIA', 'AURELIA', 'AUREMOL', 'AutoAssign', 'AutoStructure', 'AVS', 'AZARA', 'BIRDER', 'CARA', 'CAPP', 'CING', 'CcpNMR', 'CNS', 'CNSSOLVE', 'CORMA', 'CSI', 'CS-Rosetta', 'CURVES', 'CYANA', 'DGII', 'DIAMOD', 'DISCOVER', 'DYANA', 'DYNAMO', 'EMBOSS', 'FANTOM', 'Felix', 'GARANT', 'Gaussian', 'GIFA', 'HADDOCK', 'HYPER', 'InsightII', 'MARDIGRAS', 'ModelFree', 'Molmol', 'MORASS', 'NDEE', 'NMRbox', 'NMRDraw', 'NMRPipe', 'NMRView', 'NOAH', 'NOEID', 'NUCFIT', 'NUTS', 'OPAL', 'PECAN', 'PINE', 'PIPP', 'PISTACHIO', 'Procheck', 'ProcheckNMR', 'P-ROI', 'PRONTO', 'PROSA', 'PSVS', 'QUEEN', 'Relax', 'RESCUE', 'SANE', 'SPARKY', 'SPARTA', 'SPARTA+', 'SPSCAN', 'SYBYL', 'TALOS', 'TOPSPIN', 'UXNMR', 'VNMR', 'WhatIF', 'Wattos', 'XEASY', 'X-PLOR', 'X-PLOR NIH', 'xwinnmr' ); CREATE TABLE software_applied_methods ( methods_id INTEGER , methods_label TEXT , script TEXT , script_name TEXT , software_label TEXT , software_name ENUM_software_applied_methods_software_name , software_specific_info TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_applied_list_id INTEGER NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from software_citationType) -- Items in the software_citation category provide links to the citations category where literature references describing the software can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Software_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE software_citation ( citation_label TEXT , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from software_specific_infoType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Software_specific_info -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE software_specific_info ( software_saveframe TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_saveframe_id INTEGER NOT NULL , -- ATTRIBUTE software_specific_info_list_id INTEGER NOT NULL ); -- -- (quoted from software_specific_info_listType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Software_specific_info_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE software_specific_info_list ( name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from spectral_acq_paramType) -- Items in the spectra_acq_param category define the acquisition parameters used in collecting the data in an NMR experiment. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_acq_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spectral_acq_param_name CASCADE; CREATE TYPE ENUM_spectral_acq_param_name AS ENUM ( 'spectrometer carrier frequency', 'spectrometer offset frequency', 'acquisition time', 'mixing time', 'spectral width', 'spectral folding', 'data point number', 'data point type', 'data point spacing' ); CREATE TABLE spectral_acq_param ( acquisition_dimension_id INTEGER , name ENUM_spectral_acq_param_name , spectral_dim INTEGER , val TEXT , val_units TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE nmr_spec_expt_id INTEGER NOT NULL ); -- -- (quoted from spectral_densityType) -- Items in the spectral_density category describe the spectral density values assigned to a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_density -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE spectral_density ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , w_13c_val DECIMAL , w_13c_val_err DECIMAL , w_15n_val DECIMAL , w_15n_val_err DECIMAL , w_1h_val DECIMAL , w_1h_val_err DECIMAL , w_zero_val DECIMAL , w_zero_val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE spectral_density_list_id INTEGER NOT NULL ); -- -- (quoted from spectral_density_experimentType) -- Items in the spectral_density_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported spectral density values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_density_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spectral_density_experiment_sample_state CASCADE; CREATE TYPE ENUM_spectral_density_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE spectral_density_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_spectral_density_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE spectral_density_list_id INTEGER NOT NULL ); -- -- (quoted from spectral_density_listType) -- Items in the spectral_density_list category provide information about a list of reported spectral density values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_density_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE spectral_density_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from spectral_density_softwareType) -- Items in the spectral_density_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_density_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE spectral_density_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE spectral_density_list_id INTEGER NOT NULL ); -- -- (quoted from spectral_dimType) -- Items in the spectral_dim category describe the parameters of each dimension in the NMR experiment used to generate the spectral peak list. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_dim -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spectral_dim_absolute_peak_positions CASCADE; CREATE TYPE ENUM_spectral_dim_absolute_peak_positions AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_spectral_dim_acquisition CASCADE; CREATE TYPE ENUM_spectral_dim_acquisition AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_spectral_dim_sweep_width_units CASCADE; CREATE TYPE ENUM_spectral_dim_sweep_width_units AS ENUM ( 'Hz', 'ppm' ); DROP TYPE IF EXISTS ENUM_spectral_dim_under_sampling_type CASCADE; CREATE TYPE ENUM_spectral_dim_under_sampling_type AS ENUM ( 'aliased', 'folded', 'not observed' ); CREATE TABLE spectral_dim ( absolute_peak_positions ENUM_spectral_dim_absolute_peak_positions , acquisition ENUM_spectral_dim_acquisition , atom_isotope_number INTEGER , axis_code TEXT , center_frequency_offset DECIMAL , encoded_reduced_dimension_id INTEGER , encoding_code TEXT , magnetization_linkage_id INTEGER , spectrometer_frequency DECIMAL , sweep_width DECIMAL , sweep_width_units ENUM_spectral_dim_sweep_width_units , under_sampling_type ENUM_spectral_dim_under_sampling_type , value_first_point DECIMAL , -- ATTRIBUTE atom_type TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL , -- ATTRIBUTE spectral_region TEXT NOT NULL ); -- -- (quoted from spectral_dim_transferType) -- category description not available -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_dim_transfer -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spectral_dim_transfer_indirect CASCADE; CREATE TYPE ENUM_spectral_dim_transfer_indirect AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_spectral_dim_transfer_type CASCADE; CREATE TYPE ENUM_spectral_dim_transfer_type AS ENUM ( 'onebond', 'jcoupling', 'jmultibond', 'relayed', 'relayed-alternate', 'through-space' ); CREATE TABLE spectral_dim_transfer ( indirect ENUM_spectral_dim_transfer_indirect , type ENUM_spectral_dim_transfer_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE spectral_dim_id_1 INTEGER NOT NULL , -- ATTRIBUTE spectral_dim_id_2 INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from spectral_peak_listType) -- Items in the spectral_peak_list category provide information about a list of reported spectral peak characteristic values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_peak_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spectral_peak_list_experiment_class CASCADE; CREATE TYPE ENUM_spectral_peak_list_experiment_class AS ENUM ( 'H_H[C].through-space' ); DROP TYPE IF EXISTS ENUM_spectral_peak_list_experiment_type CASCADE; CREATE TYPE ENUM_spectral_peak_list_experiment_type AS ENUM ( '13C-NOESY-HSQC' ); CREATE TABLE spectral_peak_list ( assigned_chem_shift_list_id INTEGER , assigned_chem_shift_list_label TEXT , chemical_shift_list TEXT , details TEXT , experiment_class ENUM_spectral_peak_list_experiment_class , experiment_id INTEGER , experiment_name TEXT , experiment_type ENUM_spectral_peak_list_experiment_type , name TEXT , number_of_spectral_dimensions INTEGER , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sample_id INTEGER , sample_label TEXT , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from spectral_peak_softwareType) -- Items in the spectral_peak_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_peak_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE spectral_peak_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from spectral_processing_paramType) -- Items in the spectral_processing_param category describe the software parameters used in converting the raw spectral data into the fully processed spectrum. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_processing_param -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spectral_processing_param_name CASCADE; CREATE TYPE ENUM_spectral_processing_param_name AS ENUM ( 'Exponential factor', 'Gaussian factor', 'Zero filling', 'Lnear prediction', 'Processed real points', 'Submatrix block size', 'Full spectrum width points', 'Spectrum offset', 'Data type' ); CREATE TABLE spectral_processing_param ( name ENUM_spectral_processing_param_name , operation_code TEXT , operation_id INTEGER , operation_ordinal INTEGER , previous_operation_id INTEGER , processing_dimension_id INTEGER , spectral_dim INTEGER , val TEXT , val_units TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE nmr_spectral_processing_id INTEGER NOT NULL ); -- -- (quoted from spectral_transitionType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_transition -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE spectral_transition ( details TEXT , figure_of_merit DECIMAL , peak_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL ); -- -- (quoted from spectral_transition_charType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_transition_char -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE spectral_transition_char ( bounding_box_lower_val DECIMAL , bounding_box_upper_val DECIMAL , bounding_box_width_val DECIMAL , chem_shift_val DECIMAL , chem_shift_val_err DECIMAL , decay_rate_val DECIMAL , decay_rate_val_err DECIMAL , derivation_method_id INTEGER , line_width_val DECIMAL , line_width_val_err DECIMAL , peak_id INTEGER , phase_val DECIMAL , phase_val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE spectral_dim_id INTEGER NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL , -- ATTRIBUTE spectral_transition_id INTEGER NOT NULL ); -- -- (quoted from spectral_transition_general_charType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spectral_transition_general_char -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spectral_transition_general_char_measurement_method CASCADE; CREATE TYPE ENUM_spectral_transition_general_char_measurement_method AS ENUM ( 'absolute height', 'height', 'relative height', 'volume', 'number of contours' ); CREATE TABLE spectral_transition_general_char ( intensity_val_err DECIMAL , measurement_method ENUM_spectral_transition_general_char_measurement_method , peak_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE intensity_val DECIMAL NOT NULL , -- ATTRIBUTE spectral_peak_list_id INTEGER NOT NULL , -- ATTRIBUTE spectral_transition_id INTEGER NOT NULL ); -- -- (quoted from spin_systemType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spin_system -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE spin_system ( comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE resonance_linker_list_id INTEGER NOT NULL ); -- -- (quoted from spin_system_linkType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Spin_system_link -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_spin_system_link_type CASCADE; CREATE TYPE ENUM_spin_system_link_type AS ENUM ( 'identity', 'sequential', 'basepair', 'covalent', 'hbond', 'saltbridge', 'dative' ); CREATE TABLE spin_system_link ( "offset" INTEGER , selected TEXT , type ENUM_spin_system_link_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE from_spin_system_id INTEGER NOT NULL , -- ATTRIBUTE resonance_linker_list_id INTEGER NOT NULL , -- ATTRIBUTE to_spin_system_id INTEGER NOT NULL ); -- -- (quoted from struct_anno_charType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Struct_anno_char -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE struct_anno_char ( assembly_id INTEGER , atom_site_model_id INTEGER , comp_id TEXT , comp_index_id INTEGER , edge_designation TEXT , entity_assembly_id INTEGER , entity_id INTEGER , hydrophobicity DECIMAL , pdb_strand_id TEXT , phi_angle DECIMAL , psi_angle DECIMAL , secondary_structure_code TEXT , solvent_accessible_surface_area DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE structure_annotation_id INTEGER NOT NULL ); -- -- (quoted from struct_anno_softwareType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Struct_anno_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE struct_anno_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE structure_annotation_id INTEGER NOT NULL ); -- -- (quoted from struct_asymType) -- Data items in the struct_asym category record details about the structural elements in the asymmetric unit. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Struct_asym -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_struct_asym_pdbx_blank_pdb_chainid_flag CASCADE; CREATE TYPE ENUM_struct_asym_pdbx_blank_pdb_chainid_flag AS ENUM ( 'yes', 'no' ); DROP TYPE IF EXISTS ENUM_struct_asym_pdbx_modified CASCADE; CREATE TYPE ENUM_struct_asym_pdbx_modified AS ENUM ( 'yes', 'no' ); CREATE TABLE struct_asym ( details TEXT , entity_id INTEGER , pdbx_blank_pdb_chainid_flag ENUM_struct_asym_pdbx_blank_pdb_chainid_flag , pdbx_modified ENUM_struct_asym_pdbx_modified , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id TEXT NOT NULL ); -- -- (quoted from struct_classificationType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Struct_classification -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE struct_classification ( class TEXT , code TEXT , db_source_id TEXT , description TEXT , family TEXT , fold TEXT , sunid INTEGER , superfamily TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE structure_annotation_id INTEGER NOT NULL ); -- -- (quoted from struct_imageType) -- Items in the struct_image category define the name of an electronic file and its format that contains an image of the structure(s) reported. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Struct_image -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE struct_image ( details TEXT , file_format TEXT , -- ATTRIBUTE conformer_family_coord_set_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE file_name TEXT NOT NULL ); -- -- (quoted from struct_keywordsType) -- Items in the struct_keywords category define keywords that describe the structure of the biomolecular system reported. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Struct_keywords -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE struct_keywords ( text TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE keywords TEXT NOT NULL ); -- -- (quoted from structure_annotationType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Structure_annotation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE structure_annotation ( db_electronic_address TEXT , -- map XSD date (xsd:date) to SQL DATE db_queried_date DATE , db_source TEXT , -- map XSD date (xsd:date) to SQL DATE db_source_release_date DATE , db_source_release_designation TEXT , details TEXT , name TEXT , pdb_id TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from structure_interactionType) -- Items in the structure_interaction category define the types and locations of structural interactions identified in the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Structure_interaction -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE structure_interaction ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , details TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , selection_method_id INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , type TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE structure_interaction_list_id INTEGER NOT NULL ); -- -- (quoted from structure_interaction_listType) -- Items in the structure_interaction_list category provide information about a list of reported structure interaction annotations derived from the analysis of tertiary and/or quaternary structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Structure_interaction_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE structure_interaction_list ( details TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from studyType) -- Items in the study category define the study of which the entry is a member. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Study -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_study_type CASCADE; CREATE TYPE ENUM_study_type AS ENUM ( 'Structure analysis', 'Mutant comparison', 'Interactions with different ligands', 'Chemical shift mapping', 'NMR signal assignment', 'Protein-protein interaction', 'Protein-ligand interaction', 'Structural and dynamics analysis', 'Stoichiometry problems', 'Dynamics analysis', 'pH titration' ); CREATE TABLE study ( details TEXT , name TEXT , type ENUM_study_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE study_list_id INTEGER NOT NULL ); -- -- (quoted from study_entry_listType) -- Items in the study_entry_list category define a list of entries that together represent a study of a biomolecular system. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Study_entry_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE study_entry_list ( bmrb_entry_description TEXT , details TEXT , -- ATTRIBUTE bmrb_accession_code TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE study_id INTEGER NOT NULL , -- ATTRIBUTE study_list_id INTEGER NOT NULL ); -- -- (quoted from study_keywordType) -- Items in the study_keyword category capture keywords that describe a study of a biomolecular system. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Study_keyword -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE study_keyword ( -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE keyword TEXT NOT NULL , -- ATTRIBUTE study_id INTEGER NOT NULL , -- ATTRIBUTE study_list_id INTEGER NOT NULL ); -- -- (quoted from study_listType) -- Items in the study_list category define the save frame for the study description. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Study_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE study_list ( sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from subsystem_biological_functionType) -- Items in the subsystem_biological_function category define the biological functions that the subsystem of the molecular assembly carry out. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Subsystem_biological_function -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE subsystem_biological_function ( -- ATTRIBUTE assembly_subsystem_id INTEGER NOT NULL , -- ATTRIBUTE biological_function TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from subsystem_citationType) -- Items in the subsystem_citation category define the pointers to citations provided in the entry that describe the subsystem of the molecular assembly or other relevant information. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Subsystem_citation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE subsystem_citation ( citation_label TEXT , -- ATTRIBUTE assembly_subsystem_id INTEGER NOT NULL , -- ATTRIBUTE citation_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from subsystem_common_nameType) -- Items in the subsystem_common_name category define the name(s) provided by the author or found in the literature for a defined subsystem of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Subsystem_common_name -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE subsystem_common_name ( -- ATTRIBUTE assembly_subsystem_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL ); -- -- (quoted from subsystem_componentType) -- Items in the subsystem_component define the elements of the full molecular assembly that are members of the subsystem. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Subsystem_component -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE subsystem_component ( entity_id INTEGER , entity_label TEXT , -- ATTRIBUTE assembly_subsystem_id INTEGER NOT NULL , -- ATTRIBUTE entity_assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from subsystem_db_linkType) -- Items in the subsystem_db_link category define databases and the entries in the databases that are related to the subsystem of the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Subsystem_db_link -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_subsystem_db_link_author_supplied CASCADE; CREATE TYPE ENUM_subsystem_db_link_author_supplied AS ENUM ( 'yes', 'no' ); CREATE TABLE subsystem_db_link ( author_supplied ENUM_subsystem_db_link_author_supplied , entry_details TEXT , entry_experimental_method TEXT , entry_mol_code TEXT , entry_mol_name TEXT , entry_relation_type TEXT , -- ATTRIBUTE accession_code TEXT NOT NULL , -- ATTRIBUTE assembly_subsystem_id INTEGER NOT NULL , -- ATTRIBUTE database_code TEXT NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL ); -- -- (quoted from subsystem_keywordType) -- Items in the subsystem_keyword category define keywords that describe a subsystem of the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Subsystem_keyword -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE subsystem_keyword ( -- ATTRIBUTE assembly_subsystem_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE keyword TEXT NOT NULL ); -- -- (quoted from subsystem_typeType) -- Items in the subsystem_type category define the type(s) of the subsystem. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Subsystem_type -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE subsystem_type ( -- ATTRIBUTE assembly_subsystem_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE type TEXT NOT NULL ); -- -- (quoted from systematic_chem_shift_offsetType) -- Items in the systematic_chem_shift_offset category define chemical shift offsets that systematically affect all chemical shifts in a set of assigned chemical shifts for specific nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Systematic_chem_shift_offset -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_systematic_chem_shift_offset_atom_type CASCADE; CREATE TYPE ENUM_systematic_chem_shift_offset_atom_type AS ENUM ( 'amide protons', 'amide nitrogens', 'all nitrogen bonded protons', 'all nitrogens', 'all 1H', 'all 13C', 'all 15N', 'all 19F', 'all 31P', 'backbone CA', 'backbone CB', 'na' ); DROP TYPE IF EXISTS ENUM_systematic_chem_shift_offset_type CASCADE; CREATE TYPE ENUM_systematic_chem_shift_offset_type AS ENUM ( 'TROSY offset', '2H isotope effect', '13C isotope effect', '15N isotope effect', 'SAIL isotope labeling', 'spectrometer error', 'na' ); CREATE TABLE systematic_chem_shift_offset ( atom_isotope_number INTEGER , atom_type ENUM_systematic_chem_shift_offset_atom_type , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE assigned_chem_shift_list_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE type ENUM_systematic_chem_shift_offset_type NOT NULL ); -- -- (quoted from t1Type) -- Items in the T1 category capture T1 relaxation values for defined nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=T1 -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE t1 ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_t1_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from t1rhoType) -- Items in the T1rho category capture T1rho relaxation values for defined nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=T1rho -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE t1rho ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , rex_val DECIMAL , rex_val_err DECIMAL , seq_id INTEGER , t1rho_val DECIMAL , t1rho_val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_t1rho_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from t2Type) -- Items in the T2 category capture T2 relaxation values for defined nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=T2 -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE t2 ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , rex_err DECIMAL , rex_val DECIMAL , seq_id INTEGER , t2_val DECIMAL , t2_val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE heteronucl_t2_list_id INTEGER NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from ta_constraint_comment_orgType) -- Items in the TA_constraint_comment_org category provide original comments extracted from constraint files containing torsion angle constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=TA_constraint_comment_org -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ta_constraint_comment_org ( comment_begin_column INTEGER , comment_begin_line INTEGER , comment_end_column INTEGER , comment_end_line INTEGER , comment_text TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from ta_constraint_conv_errType) -- Items in the TA_constraint_conv_err category describe errors that occurred in converting the constraints to normalize the data with the atomic coordinates. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=TA_constraint_conv_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ta_constraint_conv_err ( conv_error_note TEXT , conv_error_type TEXT , parse_file_constraint_id INTEGER , parse_file_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from ta_constraint_parse_errType) -- Items in the TA_constraint_parse_err category define the content and position of a segment of a torsion angle constraint file that could not be parsed into NMR-STAR format. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=TA_constraint_parse_err -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ta_constraint_parse_err ( begin_column INTEGER , begin_line INTEGER , content TEXT , end_column INTEGER , end_line INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from ta_constraint_parse_fileType) -- Items in the TA_constraint_parse_file category define the files parsed to generate the NMR-STAR file. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=TA_constraint_parse_file -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE ta_constraint_parse_file ( name TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from taskType) -- Items in the task category describe the tasks the software performed. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Task -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE task ( -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE task TEXT NOT NULL ); -- -- (quoted from tensorType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Tensor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE tensor ( anisotropic_val DECIMAL , anti_sym_comp_1_2_val DECIMAL , anti_sym_comp_1_3_val DECIMAL , anti_sym_comp_2_3_val DECIMAL , assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , axial_sym_axis_aximuthal_angle DECIMAL , axial_sym_axis_polar_angle DECIMAL , calc_type_id INTEGER , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , euler_angle_alpha DECIMAL , euler_angle_beta DECIMAL , euler_angle_gamma DECIMAL , interatomic_dist_set_id INTEGER , interatomic_distance_list_id INTEGER , isotropic_comp_1_1_val DECIMAL , isotropic_comp_2_2_val DECIMAL , isotropic_comp_3_3_val DECIMAL , isotropic_val DECIMAL , reduceable_matrix_1_1_val DECIMAL , reduceable_matrix_1_2_val DECIMAL , reduceable_matrix_1_3_val DECIMAL , reduceable_matrix_2_1_val DECIMAL , reduceable_matrix_2_2_val DECIMAL , reduceable_matrix_2_3_val DECIMAL , reduceable_matrix_3_1_val DECIMAL , reduceable_matrix_3_2_val DECIMAL , reduceable_matrix_3_3_val DECIMAL , rhombic_val DECIMAL , seq_id INTEGER , sym_traceless_comp_1_1_val DECIMAL , sym_traceless_comp_1_2_val DECIMAL , sym_traceless_comp_1_3_val DECIMAL , sym_traceless_comp_2_2_val DECIMAL , sym_traceless_comp_2_3_val DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE tensor_list_id INTEGER NOT NULL ); -- -- (quoted from tensor_listType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Tensor_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_tensor_list_matrix_val_units CASCADE; CREATE TYPE ENUM_tensor_list_matrix_val_units AS ENUM ( 's-1' ); DROP TYPE IF EXISTS ENUM_tensor_list_tensor_shape CASCADE; CREATE TYPE ENUM_tensor_list_tensor_shape AS ENUM ( 'sphere', 'spheroid', 'oblate spheroid', 'prolate spheroid', 'ellipsoid' ); DROP TYPE IF EXISTS ENUM_tensor_list_tensor_type CASCADE; CREATE TYPE ENUM_tensor_list_tensor_type AS ENUM ( 'diffusion', 'CS', 'shielding', 'alignment' ); CREATE TABLE tensor_list ( angle_units TEXT , anisotropic_val_formula TEXT , details TEXT , euler_angle_type TEXT , isotropic_val_formula TEXT , isotropic_val_type TEXT , matrix_val_units ENUM_tensor_list_matrix_val_units , name TEXT , rhombic_val_formula TEXT , sf_category TEXT , sf_framecode TEXT , tensor_shape ENUM_tensor_list_tensor_shape , tensor_type ENUM_tensor_list_tensor_type , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from terminal_residueType) -- Items in the terminal_residue category define the terminal residue for each molecular entity in the representative conformer. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Terminal_residue -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE terminal_residue ( auth_comp_id TEXT , auth_seq_id TEXT , comp_id TEXT , seq_id INTEGER , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE representative_conformer_id INTEGER NOT NULL ); -- -- (quoted from tertiary_structType) -- Items in the tertiary_struct category define the types and locations of the tertiary structure elements described for the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Tertiary_struct -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE tertiary_struct ( assembly_atom_id INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id INTEGER , auth_seq_id TEXT , comp_id TEXT , details TEXT , entity_id INTEGER , entity_label TEXT , seq_id INTEGER , tertiary_struct_code TEXT , tertiary_struct_element_code TEXT , tertiary_struct_name TEXT , -- ATTRIBUTE atom_id TEXT NOT NULL , -- ATTRIBUTE comp_index_id INTEGER NOT NULL , -- ATTRIBUTE entity_assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE tertiary_struct_element_list_id INTEGER NOT NULL ); -- -- (quoted from tertiary_struct_element_listType) -- Items in the tertiary_struct_element_list category provide information about a list of reported annotations for tertiary structural elements found in the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Tertiary_struct_element_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE tertiary_struct_element_list ( name TEXT , sf_category TEXT , sf_framecode TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from tertiary_struct_element_selType) -- Items in the tertiary_struct_element_sel category provide pointers to the methods used to identify tertiary structural elements in the reported conformers. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Tertiary_struct_element_sel -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE tertiary_struct_element_sel ( method_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE method_id INTEGER NOT NULL , -- ATTRIBUTE tertiary_struct_element_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_auto_relaxationType) -- Items in the theoretical_auto_relaxation category capture theoretical auto relaxation values for defined nuclei in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_auto_relaxation -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_auto_relaxation ( assembly_atom_id INTEGER , assembly_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , auto_relaxation_val DECIMAL , auto_relaxation_val_err DECIMAL , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , rex_val DECIMAL , rex_val_err DECIMAL , seq_id INTEGER , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE theoretical_auto_relaxation_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_auto_relaxation_experimentType) -- Items in the theoretical_auto_relaxation_experiment category may provide pointers to the NMR experiments and samples modeled to generate the data for a set of reported theoretical auto relaxation data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_auto_relaxation_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_auto_relaxation_experiment_sample_state CASCADE; CREATE TYPE ENUM_theoretical_auto_relaxation_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE theoretical_auto_relaxation_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_theoretical_auto_relaxation_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_auto_relaxation_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_auto_relaxation_listType) -- Items in the theoretical_auto_relaxation_list category provide information about a list of reported theoretical auto relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_auto_relaxation_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_auto_relaxation_list_common_relaxation_type_na CASCADE; CREATE TYPE ENUM_theoretical_auto_relaxation_list_common_relaxation_type_na AS ENUM ( 'R1', 'R2', 'R1rho', 'ZQ relaxation', 'longitudinal spin order', 'single quantum antiphase', 'DQ relaxation' ); DROP TYPE IF EXISTS ENUM_theoretical_auto_relaxation_list_relaxation_coherence_type CASCADE; CREATE TYPE ENUM_theoretical_auto_relaxation_list_relaxation_coherence_type AS ENUM ( 'Iz', 'Sz', '(I+)+(I-)', '(S+)+(S-)', 'I+', 'I-', 'S+', 'S-', '(I+S-)+(I-S+)', 'I-S+', 'I+S-', 'IzSz', '((I+)+(I-))Sz', 'Iz((S+)+(S-))', 'I+Sz', 'I-Sz', 'IzS+', 'IzS-', '(I+S+)+(I-S-)', 'I+S+', 'I-S-' ); DROP TYPE IF EXISTS ENUM_theoretical_auto_relaxation_list_relaxation_val_units CASCADE; CREATE TYPE ENUM_theoretical_auto_relaxation_list_relaxation_val_units AS ENUM ( 's-1', 'ms-1', 'us-1', 'ns-1', 'ps-1' ); DROP TYPE IF EXISTS ENUM_theoretical_auto_relaxation_list_rex_units CASCADE; CREATE TYPE ENUM_theoretical_auto_relaxation_list_rex_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); DROP TYPE IF EXISTS ENUM_theoretical_auto_relaxation_list_temp_calibration_method CASCADE; CREATE TYPE ENUM_theoretical_auto_relaxation_list_temp_calibration_method AS ENUM ( 'methanol', 'monoethylene glycol', 'no calibration applied', 'na' ); DROP TYPE IF EXISTS ENUM_theoretical_auto_relaxation_list_temp_control_method CASCADE; CREATE TYPE ENUM_theoretical_auto_relaxation_list_temp_control_method AS ENUM ( 'single scan interleaving', 'temperature compensation block', 'single scan interleaving and temperature compensation block', 'no temperature control applied', 'na' ); CREATE TABLE theoretical_auto_relaxation_list ( common_relaxation_type_name ENUM_theoretical_auto_relaxation_list_common_relaxation_type_na , details TEXT , exact_field_strength DECIMAL , name TEXT , relaxation_coherence_type ENUM_theoretical_auto_relaxation_list_relaxation_coherence_type , relaxation_val_units ENUM_theoretical_auto_relaxation_list_relaxation_val_units , rex_field_strength TEXT , rex_units ENUM_theoretical_auto_relaxation_list_rex_units , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , temp_calibration_method ENUM_theoretical_auto_relaxation_list_temp_calibration_method , temp_control_method ENUM_theoretical_auto_relaxation_list_temp_control_method , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from theoretical_auto_relaxation_softwareType) -- Items in the theoretical_auto_relaxation_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical data. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_auto_relaxation_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_auto_relaxation_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_auto_relaxation_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_chem_shiftType) -- Items in the theoretical_chem_shift category describe the theoretical chemical shift values calculated for specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_chem_shift -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_chem_shift ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_asym_id TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , fermi_contact_spin_density DECIMAL , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE theoretical_chem_shift_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_chem_shift_listType) -- Items in the theoretical_chem_shift_list category provide information about a list of reported theoretical chemical shift values calculated for one or more molecular entities. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_chem_shift_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_chem_shift_list ( chem_shift_13c_err DECIMAL , chem_shift_15n_err DECIMAL , chem_shift_19f_err DECIMAL , chem_shift_1h_err DECIMAL , chem_shift_2h_err DECIMAL , chem_shift_31p_err DECIMAL , chem_shifts_calc_type_id INTEGER , chem_shifts_calc_type_label TEXT , details TEXT , fermi_contact_spin_density_units TEXT , model_atomic_coordinates_id INTEGER , model_atomic_coordinates_label TEXT , name TEXT , sf_category TEXT , sf_framecode TEXT , tensor_list_id INTEGER , tensor_list_label TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from theoretical_coupling_constantType) -- Items in the theoretical_coupling_constant category describe the theoretical coupling constant values assigned to specific atoms in a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_coupling_constant -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_coupling_constant ( ambiguity_code_1 TEXT , ambiguity_code_2 TEXT , assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , code TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , details TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , val_max DECIMAL , val_min DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE theoretical_coupling_constant_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_coupling_constant_experimentType) -- Items in the theoretical_coupling_constant_experiment category may provide pointers to the NMR experiments modeled in calculating the theoretical coupling constants. This items may not be used. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_coupling_constant_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_coupling_constant_experiment_sample_state CASCADE; CREATE TYPE ENUM_theoretical_coupling_constant_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE theoretical_coupling_constant_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_theoretical_coupling_constant_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_coupling_constant_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_coupling_constant_listType) -- Items in the theoretical_coupling_constant_list category provide information about a list of reported theoretical coupling constant values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_coupling_constant_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_coupling_constant_list_spectrometer_frequency_ CASCADE; CREATE TYPE ENUM_theoretical_coupling_constant_list_spectrometer_frequency_ AS ENUM ( '400', '500', '600', '700', '750', '800', '850', '900', '920', '950', '1000', '1100' ); CREATE TABLE theoretical_coupling_constant_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h ENUM_theoretical_coupling_constant_list_spectrometer_frequency_ , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from theoretical_coupling_constant_softwareType) -- Items in the theoretical_coupling_constant_software category provides pointers to the software and methods used to generate the theoretical coupling constants. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_coupling_constant_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_coupling_constant_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_coupling_constant_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_cross_correlation_ddType) -- Items in the theoretical_cross_correlation_DD category describe the theoretical cross-correlation dipole-dipole values assigned to a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_cross_correlation_DD -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_cross_correlation_dd ( dipole_1_assembly_atom_id_1 INTEGER , dipole_1_assembly_atom_id_2 INTEGER , dipole_1_atom_id_1 TEXT , dipole_1_atom_id_2 TEXT , dipole_1_atom_isotope_number_1 INTEGER , dipole_1_atom_isotope_number_2 INTEGER , dipole_1_atom_type_1 TEXT , dipole_1_atom_type_2 TEXT , dipole_1_auth_atom_id_1 TEXT , dipole_1_auth_atom_id_2 TEXT , dipole_1_auth_comp_id_1 TEXT , dipole_1_auth_comp_id_2 TEXT , dipole_1_auth_entity_assembly_id_1 TEXT , dipole_1_auth_entity_assembly_id_2 TEXT , dipole_1_auth_seq_id_1 TEXT , dipole_1_auth_seq_id_2 TEXT , dipole_1_comp_id_1 TEXT , dipole_1_comp_id_2 TEXT , dipole_1_comp_index_id_1 INTEGER , dipole_1_comp_index_id_2 INTEGER , dipole_1_entity_assembly_id_1 INTEGER , dipole_1_entity_assembly_id_2 INTEGER , dipole_1_entity_id_1 INTEGER , dipole_1_entity_id_2 INTEGER , dipole_1_resonance_id_1 INTEGER , dipole_1_resonance_id_2 INTEGER , dipole_1_seq_id_1 INTEGER , dipole_1_seq_id_2 INTEGER , dipole_2_assembly_atom_id_1 INTEGER , dipole_2_assembly_atom_id_2 INTEGER , dipole_2_atom_id_1 TEXT , dipole_2_atom_id_2 TEXT , dipole_2_atom_isotope_number_1 INTEGER , dipole_2_atom_isotope_number_2 INTEGER , dipole_2_atom_type_1 TEXT , dipole_2_atom_type_2 TEXT , dipole_2_auth_atom_id_1 TEXT , dipole_2_auth_atom_id_2 TEXT , dipole_2_auth_comp_id_1 TEXT , dipole_2_auth_comp_id_2 TEXT , dipole_2_auth_entity_assembly_id_1 TEXT , dipole_2_auth_entity_assembly_id_2 TEXT , dipole_2_auth_seq_id_1 TEXT , dipole_2_auth_seq_id_2 TEXT , dipole_2_chem_comp_index_id_2 INTEGER , dipole_2_comp_id_1 TEXT , dipole_2_comp_id_2 TEXT , dipole_2_comp_index_id_1 INTEGER , dipole_2_entity_assembly_id_1 INTEGER , dipole_2_entity_assembly_id_2 INTEGER , dipole_2_entity_id_1 INTEGER , dipole_2_entity_id_2 INTEGER , dipole_2_resonance_id_1 INTEGER , dipole_2_resonance_id_2 INTEGER , dipole_2_seq_id_1 INTEGER , dipole_2_seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE theoretical_cross_correlation_dd_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_cross_correlation_dd_experimentType) -- Items in the theoretical_cross_correlation_DD_experiment category may provide pointers to the NMR experiments and samples modeled to collect the data for a set of reported theoretical cross-correlation dipole-dipole relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_cross_correlation_DD_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_cross_correlation_dd_experiment_sample_state CASCADE; CREATE TYPE ENUM_theoretical_cross_correlation_dd_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE theoretical_cross_correlation_dd_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_theoretical_cross_correlation_dd_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_cross_correlation_dd_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_cross_correlation_dd_listType) -- Items in the theoretical_cross_correlation_DD_list category provide information about a list of reported theoretical dipole-dipole cross correlation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_cross_correlation_DD_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_cross_correlation_dd_list_val_units CASCADE; CREATE TYPE ENUM_theoretical_cross_correlation_dd_list_val_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); CREATE TABLE theoretical_cross_correlation_dd_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , val_units ENUM_theoretical_cross_correlation_dd_list_val_units , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from theoretical_cross_correlation_dd_softwareType) -- Items in the theoretical_cross_correlation_DD_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical cross correlation dipole-dipole values can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_cross_correlation_DD_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_cross_correlation_dd_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_cross_correlation_dd_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_noeType) -- Items in the theoretical_heteronucl_NOE category capture theoretical heteronuclear NOE values for pairs of nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_NOE -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_heteronucl_noe ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_isotope_number_1 INTEGER , atom_isotope_number_2 INTEGER , atom_type_1 TEXT , atom_type_2 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_entity_assembly_id_1 TEXT , auth_entity_assembly_id_2 TEXT , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , resonance_id_1 INTEGER , resonance_id_2 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_noe_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_noe_experimentType) -- Items in the theoretical_heteronucl_NOE_experiment category may provide pointers to NMR experiments and samples modeled to generate the data for a set of reported theoretical heteronuclear NOE values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_NOE_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_noe_experiment_sample_state CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_noe_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE theoretical_heteronucl_noe_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_theoretical_heteronucl_noe_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_noe_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_noe_listType) -- Items in the theoretical_heteronucl_NOE_list category provide information about a list of reported theoretical heteronuclear NOE values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_NOE_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_noe_list_heteronuclear_noe_val_type CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_noe_list_heteronuclear_noe_val_type AS ENUM ( 'peak height', 'peak integral', 'contour count', 'relative intensities', 'na' ); CREATE TABLE theoretical_heteronucl_noe_list ( details TEXT , heteronuclear_noe_val_type ENUM_theoretical_heteronucl_noe_list_heteronuclear_noe_val_type , name TEXT , noe_ref_description TEXT , noe_ref_val DECIMAL , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_noe_softwareType) -- Items in the theoretical_heteronucl_NOE_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical heteronuclear NOE values can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_NOE_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_heteronucl_noe_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_noe_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_t1_experimentType) -- Items in the theoretical_heteronucl_T1_experiment category may provide pointers to the NMR experiments and samples modeled to generate the data for a set of reported theoretical heteronuclear T1 values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_T1_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t1_experiment_sample_state CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t1_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE theoretical_heteronucl_t1_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_theoretical_heteronucl_t1_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_t1_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_t1_listType) -- Items in the theoretical_heteronucl_T1_list category provide information about a list of reported theoretical heteronuclear T1 relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_T1_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t1_list_t1_coherence_type CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t1_list_t1_coherence_type AS ENUM ( 'Iz', 'Sz', 'na' ); DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t1_list_t1_val_units CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t1_list_t1_val_units AS ENUM ( 's', 's-1', 'ms', 'ms-1' ); CREATE TABLE theoretical_heteronucl_t1_list ( details TEXT , name TEXT , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , t1_coherence_type ENUM_theoretical_heteronucl_t1_list_t1_coherence_type , t1_val_units ENUM_theoretical_heteronucl_t1_list_t1_val_units , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_t1_softwareType) -- Items in the theoretical_heteronucl_T1_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical data can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_T1_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_heteronucl_t1_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_t1_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_t2_experimentType) -- Items in the theoretical_heteronucl_T2_experiment category may provide pointers to the NMR experiments and samples modeled to generate the data for a set of reported theoretical heteronuclear T2 values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_T2_experiment -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t2_experiment_sample_state CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t2_experiment_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE theoretical_heteronucl_t2_experiment ( experiment_name TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_theoretical_heteronucl_t2_experiment_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_t2_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_t2_listType) -- Items in the theoretical_heteronucl_T2_list category provide information about a list of reported theoretical heteronuclear T2 relaxation values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_T2_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t2_list_rex_units CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t2_list_rex_units AS ENUM ( 's-1', 'ms-1', 'us-1' ); DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t2_list_t2_coherence_type CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t2_list_t2_coherence_type AS ENUM ( 'I(+,-)', 'S(+,-)', 'na' ); DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t2_list_t2_val_units CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t2_list_t2_val_units AS ENUM ( 's-1', 'ms-1', 's', 'ms' ); DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t2_list_temp_calibration_method CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t2_list_temp_calibration_method AS ENUM ( 'methanol', 'monoethylene glycol', 'no calibration applied', 'na' ); DROP TYPE IF EXISTS ENUM_theoretical_heteronucl_t2_list_temp_control_method CASCADE; CREATE TYPE ENUM_theoretical_heteronucl_t2_list_temp_control_method AS ENUM ( 'single scan interleaving', 'temperature compensation block', 'no temperature control applied', 'na' ); CREATE TABLE theoretical_heteronucl_t2_list ( details TEXT , name TEXT , rex_units ENUM_theoretical_heteronucl_t2_list_rex_units , sample_condition_list_id INTEGER , sample_condition_list_label TEXT , sf_category TEXT , sf_framecode TEXT , spectrometer_frequency_1h DECIMAL , t2_coherence_type ENUM_theoretical_heteronucl_t2_list_t2_coherence_type , t2_val_units ENUM_theoretical_heteronucl_t2_list_t2_val_units , temp_calibration_method ENUM_theoretical_heteronucl_t2_list_temp_calibration_method , temp_control_method ENUM_theoretical_heteronucl_t2_list_temp_control_method , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from theoretical_heteronucl_t2_softwareType) -- Items in the theoretical_heteronucl_T2_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical data can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_heteronucl_T2_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_heteronucl_t2_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_t2_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_t1Type) -- Items in the theoretical_T1 category capture theoretical T1 relaxation values for defined nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_T1 -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_t1 ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , seq_id INTEGER , val DECIMAL , val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_t1_list_id INTEGER NOT NULL ); -- -- (quoted from theoretical_t2Type) -- Items in the theoretical_T2 category capture theoretical T2 relaxation values for defined nuclei. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Theoretical_T2 -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE theoretical_t2 ( assembly_atom_id INTEGER , atom_id TEXT , atom_isotope_number INTEGER , atom_type TEXT , auth_atom_id TEXT , auth_comp_id TEXT , auth_entity_assembly_id TEXT , auth_seq_id TEXT , comp_id TEXT , comp_index_id INTEGER , entity_assembly_id INTEGER , entity_id INTEGER , resonance_id INTEGER , rex_err DECIMAL , rex_val DECIMAL , seq_id INTEGER , t2_val DECIMAL , t2_val_err DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE theoretical_heteronucl_t2_list_id INTEGER NOT NULL ); -- -- (quoted from torsion_angleType) -- Items in the torsion_angle category define a unique identifier for each torsion angle in the molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Torsion_angle -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE torsion_angle ( assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , assembly_atom_id_3 INTEGER , assembly_atom_id_4 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , atom_id_4 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , atom_type_3 TEXT , atom_type_4 TEXT , comp_id_1 TEXT , comp_id_2 TEXT , comp_id_3 TEXT , comp_id_4 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , comp_index_id_3 INTEGER , comp_index_id_4 INTEGER , comp_label_1 TEXT , comp_label_2 TEXT , comp_label_3 TEXT , comp_label_4 TEXT , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_assembly_id_3 INTEGER , entity_assembly_id_4 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , entity_id_3 INTEGER , entity_id_4 INTEGER , entity_label_1 TEXT , entity_label_2 TEXT , entity_label_3 TEXT , entity_label_4 TEXT , seq_id_1 INTEGER , seq_id_2 INTEGER , seq_id_3 INTEGER , seq_id_4 INTEGER , torsion_angle_name TEXT , -- ATTRIBUTE assembly_id INTEGER NOT NULL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from torsion_angle_constraintType) -- Items in the torsion_angle_constraint category describe the derived torsion angle constraints used to calculate the structure of a molecular assembly. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Torsion_angle_constraint -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE torsion_angle_constraint ( angle_lower_bound_val DECIMAL , angle_lower_linear_limit DECIMAL , angle_target_val DECIMAL , angle_target_val_err DECIMAL , angle_upper_bound_val DECIMAL , angle_upper_linear_limit DECIMAL , assembly_atom_id_1 INTEGER , assembly_atom_id_2 INTEGER , assembly_atom_id_3 INTEGER , assembly_atom_id_4 INTEGER , atom_id_1 TEXT , atom_id_2 TEXT , atom_id_3 TEXT , atom_id_4 TEXT , atom_type_1 TEXT , atom_type_2 TEXT , atom_type_3 TEXT , atom_type_4 TEXT , auth_alt_id_1 TEXT , auth_alt_id_2 TEXT , auth_alt_id_3 TEXT , auth_alt_id_4 TEXT , auth_asym_id_1 TEXT , auth_asym_id_2 TEXT , auth_asym_id_3 TEXT , auth_asym_id_4 TEXT , auth_atom_id_1 TEXT , auth_atom_id_2 TEXT , auth_atom_id_3 TEXT , auth_atom_id_4 TEXT , auth_atom_name_1 TEXT , auth_atom_name_2 TEXT , auth_atom_name_3 TEXT , auth_atom_name_4 TEXT , auth_chain_id_1 TEXT , auth_chain_id_2 TEXT , auth_chain_id_3 TEXT , auth_chain_id_4 TEXT , auth_comp_id_1 TEXT , auth_comp_id_2 TEXT , auth_comp_id_3 TEXT , auth_comp_id_4 TEXT , auth_entity_assembly_id_1 INTEGER , auth_entity_assembly_id_2 INTEGER , auth_entity_assembly_id_3 INTEGER , auth_entity_assembly_id_4 INTEGER , auth_seq_id_1 TEXT , auth_seq_id_2 TEXT , auth_seq_id_3 TEXT , auth_seq_id_4 TEXT , combination_id INTEGER , comp_id_1 TEXT , comp_id_2 TEXT , comp_id_3 TEXT , comp_id_4 TEXT , comp_index_id_1 INTEGER , comp_index_id_2 INTEGER , comp_index_id_3 INTEGER , comp_index_id_4 INTEGER , entity_assembly_id_1 INTEGER , entity_assembly_id_2 INTEGER , entity_assembly_id_3 INTEGER , entity_assembly_id_4 INTEGER , entity_id_1 INTEGER , entity_id_2 INTEGER , entity_id_3 INTEGER , entity_id_4 INTEGER , figure_of_merit DECIMAL , index_id INTEGER , pdb_atom_name_1 TEXT , pdb_atom_name_2 TEXT , pdb_atom_name_3 TEXT , pdb_atom_name_4 TEXT , pdb_ins_code_1 TEXT , pdb_ins_code_2 TEXT , pdb_ins_code_3 TEXT , pdb_ins_code_4 TEXT , pdb_model_num_1 INTEGER , pdb_model_num_2 INTEGER , pdb_model_num_3 INTEGER , pdb_model_num_4 INTEGER , pdb_record_id_1 TEXT , pdb_record_id_2 TEXT , pdb_record_id_3 TEXT , pdb_record_id_4 TEXT , pdb_residue_name_1 TEXT , pdb_residue_name_2 TEXT , pdb_residue_name_3 TEXT , pdb_residue_name_4 TEXT , pdb_residue_no_1 TEXT , pdb_residue_no_2 TEXT , pdb_residue_no_3 TEXT , pdb_residue_no_4 TEXT , pdb_strand_id_1 TEXT , pdb_strand_id_2 TEXT , pdb_strand_id_3 TEXT , pdb_strand_id_4 TEXT , resonance_id_1 INTEGER , resonance_id_2 INTEGER , resonance_id_3 INTEGER , resonance_id_4 INTEGER , seq_id_1 INTEGER , seq_id_2 INTEGER , seq_id_3 INTEGER , seq_id_4 INTEGER , set_id INTEGER , source_experiment_id INTEGER , torsion_angle_name TEXT , weight DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from torsion_angle_constraint_listType) -- Items in the torsion_angle_constraint_list category provide information about a list of reported torsion angle constraint values. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Torsion_angle_constraint_list -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_torsion_angle_constraint_list_constraint_type CASCADE; CREATE TYPE ENUM_torsion_angle_constraint_list_constraint_type AS ENUM ( 'J-couplings', 'backbone chemical shifts' ); DROP TYPE IF EXISTS ENUM_torsion_angle_constraint_list_potential_type CASCADE; CREATE TYPE ENUM_torsion_angle_constraint_list_potential_type AS ENUM ( 'log-harmonic', 'parabolic', 'square-well-parabolic', 'square-well-parabolic-linear', 'upper-bound-parabolic', 'lower-bound-parabolic', 'upper-bound-parabolic-linear', 'lower-bound-parabolic-linear' ); CREATE TABLE torsion_angle_constraint_list ( block_id INTEGER , constraint_file_id INTEGER , constraint_type ENUM_torsion_angle_constraint_list_constraint_type , details TEXT , name TEXT , potential_type ENUM_torsion_angle_constraint_list_potential_type , sf_category TEXT , sf_framecode TEXT , text_data TEXT , text_data_format TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- -- (quoted from torsion_angle_constraint_softwareType) -- Items in the torsion_angle_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Torsion_angle_constraint_software -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE torsion_angle_constraint_software ( method_id INTEGER , method_label TEXT , software_label TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from torsion_angle_constraints_exptType) -- Items in the torsion_angle_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported torsion angle constraints. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Torsion_angle_constraints_expt -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- DROP TYPE IF EXISTS ENUM_torsion_angle_constraints_expt_sample_state CASCADE; CREATE TYPE ENUM_torsion_angle_constraints_expt_sample_state AS ENUM ( 'isotropic', 'anisotropic', 'solid' ); CREATE TABLE torsion_angle_constraints_expt ( experiment_name TEXT , method_id INTEGER , method_label TEXT , sample_id INTEGER , sample_label TEXT , sample_state ENUM_torsion_angle_constraints_expt_sample_state , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE experiment_id INTEGER NOT NULL , -- ATTRIBUTE torsion_angle_constraint_list_id INTEGER NOT NULL ); -- -- (quoted from vendorType) -- Items in the vendor category define from whom a software application can be obtained. -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Vendor -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE vendor ( address TEXT , electronic_address TEXT , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE name TEXT NOT NULL , -- ATTRIBUTE software_id INTEGER NOT NULL ); -- -- (quoted from xray_instrumentType) -- NOT AVAILABLE -- URI-reference = https://bmrb.io/dictionary/tag.php?tagcat=Xray_instrument -- xmlns: http://bmrbpub.pdbj.org/schema/mmcif_nmr-star.xsd (BMRBx), schema location: schema/mmcif_nmr-star.xsd -- type: admin child, content: true, list: false, bridge: false, virtual: false -- CREATE TABLE xray_instrument ( details TEXT , detector_type TEXT , location TEXT , manufacturer TEXT , model TEXT , saxs_detector_sample_distance DECIMAL , serial_number TEXT , sf_category TEXT , sf_framecode TEXT , source TEXT , type TEXT , wavelength DECIMAL , waxs_detector_sample_distance DECIMAL , -- ATTRIBUTE, IN-PLACE DOCUMENT KEY entry_id TEXT NOT NULL , -- ATTRIBUTE id INTEGER NOT NULL ); -- (derived from xsd:key[@name='ambiguous_atom_chem_shiftKey_0']) --ALTER TABLE ambiguous_atom_chem_shift ADD CONSTRAINT UNQ_ambiguous_atom_chem_shift UNIQUE ( entry_id, assigned_chem_shift_list_id, atom_chem_shift_id ); -- (derived from xsd:key[@name='angleKey_0']) --ALTER TABLE angle ADD CONSTRAINT UNQ_angle UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='angular_order_paramKey_0']) --ALTER TABLE angular_order_param ADD CONSTRAINT UNQ_angular_order_param UNIQUE ( entry_id, angular_order_parameter_list_id, id ); -- (derived from xsd:key[@name='angular_order_parameter_listKey_0']) --ALTER TABLE angular_order_parameter_list ADD CONSTRAINT UNQ_angular_order_parameter_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='assemblyKey_0']) --ALTER TABLE assembly ADD CONSTRAINT UNQ_assembly UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='assembly_annotation_listKey_0']) --ALTER TABLE assembly_annotation_list ADD CONSTRAINT UNQ_assembly_annotation_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='assembly_bio_functionKey_0']) --ALTER TABLE assembly_bio_function ADD CONSTRAINT UNQ_assembly_bio_function UNIQUE ( entry_id, assembly_id, biological_function ); -- (derived from xsd:key[@name='assembly_citationKey_0']) --ALTER TABLE assembly_citation ADD CONSTRAINT UNQ_assembly_citation UNIQUE ( entry_id, assembly_id, citation_id ); -- (derived from xsd:key[@name='assembly_common_nameKey_0']) --ALTER TABLE assembly_common_name ADD CONSTRAINT UNQ_assembly_common_name UNIQUE ( entry_id, assembly_id, name, type ); -- (derived from xsd:key[@name='assembly_db_linkKey_0']) --ALTER TABLE assembly_db_link ADD CONSTRAINT UNQ_assembly_db_link UNIQUE ( entry_id, accession_code, assembly_id, database_code ); -- (derived from xsd:key[@name='assembly_interactionKey_0']) --ALTER TABLE assembly_interaction ADD CONSTRAINT UNQ_assembly_interaction UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='assembly_keywordKey_0']) --ALTER TABLE assembly_keyword ADD CONSTRAINT UNQ_assembly_keyword UNIQUE ( entry_id, assembly_id, keyword ); -- (derived from xsd:key[@name='assembly_segmentKey_0']) --ALTER TABLE assembly_segment ADD CONSTRAINT UNQ_assembly_segment UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='assembly_segment_descriptionKey_0']) --ALTER TABLE assembly_segment_description ADD CONSTRAINT UNQ_assembly_segment_description UNIQUE ( entry_id, assembly_id, assembly_segment_id ); -- (derived from xsd:key[@name='assembly_subsystemKey_0']) --ALTER TABLE assembly_subsystem ADD CONSTRAINT UNQ_assembly_subsystem UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='assembly_systematic_nameKey_0']) --ALTER TABLE assembly_systematic_name ADD CONSTRAINT UNQ_assembly_systematic_name UNIQUE ( entry_id, assembly_id, naming_system ); -- (derived from xsd:key[@name='assembly_typeKey_0']) --ALTER TABLE assembly_type ADD CONSTRAINT UNQ_assembly_type UNIQUE ( entry_id, assembly_id, type ); -- (derived from xsd:key[@name='assigned_chem_shift_listKey_0']) --ALTER TABLE assigned_chem_shift_list ADD CONSTRAINT UNQ_assigned_chem_shift_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='assigned_peak_chem_shiftKey_0']) --ALTER TABLE assigned_peak_chem_shift ADD CONSTRAINT UNQ_assigned_peak_chem_shift UNIQUE ( entry_id, peak_id, spectral_dim_id, spectral_peak_list_id ); -- (derived from xsd:key[@name='assigned_spectral_transitionKey_0']) --ALTER TABLE assigned_spectral_transition ADD CONSTRAINT UNQ_assigned_spectral_transition UNIQUE ( entry_id, spectral_dim_id, spectral_peak_list_id, spectral_transition_id ); -- (derived from xsd:key[@name='atomKey_0']) --ALTER TABLE atom ADD CONSTRAINT UNQ_atom UNIQUE ( entry_id, assembly_atom_id, assembly_id ); -- (derived from xsd:key[@name='atom_chem_shiftKey_0']) --ALTER TABLE atom_chem_shift ADD CONSTRAINT UNQ_atom_chem_shift UNIQUE ( entry_id, assigned_chem_shift_list_id, id ); -- (derived from xsd:key[@name='atom_nomenclatureKey_0']) --ALTER TABLE atom_nomenclature ADD CONSTRAINT UNQ_atom_nomenclature UNIQUE ( entry_id, atom_id, comp_id ); -- (derived from xsd:key[@name='atom_siteKey_0']) --ALTER TABLE atom_site ADD CONSTRAINT UNQ_atom_site UNIQUE ( entry_id, conformer_family_coord_set_id, id ); -- (derived from xsd:key[@name='atom_sites_footnoteKey_0']) --ALTER TABLE atom_sites_footnote ADD CONSTRAINT UNQ_atom_sites_footnote UNIQUE ( entry_id, conformer_family_coord_set_id, footnote_id ); -- (derived from xsd:key[@name='atom_typeKey_0']) --ALTER TABLE atom_type ADD CONSTRAINT UNQ_atom_type UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='author_annotationKey_0']) --ALTER TABLE author_annotation ADD CONSTRAINT UNQ_author_annotation UNIQUE ( entry_id, assembly_annotation_list_id, id ); -- (derived from xsd:key[@name='auto_relaxationKey_0']) --ALTER TABLE auto_relaxation ADD CONSTRAINT UNQ_auto_relaxation UNIQUE ( entry_id, auto_relaxation_list_id, id ); -- (derived from xsd:key[@name='auto_relaxation_experimentKey_0']) --ALTER TABLE auto_relaxation_experiment ADD CONSTRAINT UNQ_auto_relaxation_experiment UNIQUE ( entry_id, auto_relaxation_list_id, experiment_id ); -- (derived from xsd:key[@name='auto_relaxation_listKey_0']) --ALTER TABLE auto_relaxation_list ADD CONSTRAINT UNQ_auto_relaxation_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='auto_relaxation_softwareKey_0']) --ALTER TABLE auto_relaxation_software ADD CONSTRAINT UNQ_auto_relaxation_software UNIQUE ( entry_id, auto_relaxation_list_id, software_id ); -- (derived from xsd:key[@name='auxiliary_filesKey_0']) --ALTER TABLE auxiliary_files ADD CONSTRAINT UNQ_auxiliary_files UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='binding_experimentKey_0']) --ALTER TABLE binding_experiment ADD CONSTRAINT UNQ_binding_experiment UNIQUE ( entry_id, binding_value_list_id, experiment_id ); -- (derived from xsd:key[@name='binding_paramKey_0']) --ALTER TABLE binding_param ADD CONSTRAINT UNQ_binding_param UNIQUE ( entry_id, binding_param_list_id, id ); -- (derived from xsd:key[@name='binding_param_listKey_0']) --ALTER TABLE binding_param_list ADD CONSTRAINT UNQ_binding_param_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='binding_partnersKey_0']) --ALTER TABLE binding_partners ADD CONSTRAINT UNQ_binding_partners UNIQUE ( entry_id, assembly_id, binding_value_list_id, entity_id ); -- (derived from xsd:key[@name='binding_resultKey_0']) --ALTER TABLE binding_result ADD CONSTRAINT UNQ_binding_result UNIQUE ( entry_id, binding_value_list_id, id ); -- (derived from xsd:key[@name='binding_softwareKey_0']) --ALTER TABLE binding_software ADD CONSTRAINT UNQ_binding_software UNIQUE ( entry_id, binding_value_list_id, software_id ); -- (derived from xsd:key[@name='binding_value_listKey_0']) --ALTER TABLE binding_value_list ADD CONSTRAINT UNQ_binding_value_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='bondKey_0']) --ALTER TABLE bond ADD CONSTRAINT UNQ_bond UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='bond_annotationKey_0']) --ALTER TABLE bond_annotation ADD CONSTRAINT UNQ_bond_annotation UNIQUE ( entry_id, bond_annotation_list_id, id ); -- (derived from xsd:key[@name='bond_annotation_listKey_0']) --ALTER TABLE bond_annotation_list ADD CONSTRAINT UNQ_bond_annotation_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='bond_observed_conformerKey_0']) --ALTER TABLE bond_observed_conformer ADD CONSTRAINT UNQ_bond_observed_conformer UNIQUE ( entry_id, atom_site_model_id, bond_annotation_id, bond_annotation_list_id, conformer_family_coord_set_id ); -- (derived from xsd:key[@name='ca_cb_constraintKey_0']) --ALTER TABLE ca_cb_constraint ADD CONSTRAINT UNQ_ca_cb_constraint UNIQUE ( entry_id, ca_cb_constraint_list_id, id ); -- (derived from xsd:key[@name='ca_cb_constraint_exptKey_0']) --ALTER TABLE ca_cb_constraint_expt ADD CONSTRAINT UNQ_ca_cb_constraint_expt UNIQUE ( entry_id, ca_cb_constraint_list_id, experiment_id ); -- (derived from xsd:key[@name='ca_cb_constraint_listKey_0']) --ALTER TABLE ca_cb_constraint_list ADD CONSTRAINT UNQ_ca_cb_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='ca_cb_constraint_softwareKey_0']) --ALTER TABLE ca_cb_constraint_software ADD CONSTRAINT UNQ_ca_cb_constraint_software UNIQUE ( entry_id, ca_cb_constraint_list_id, software_id ); -- (derived from xsd:key[@name='characteristicKey_0']) --ALTER TABLE characteristic ADD CONSTRAINT UNQ_characteristic UNIQUE ( entry_id, comp_id, id ); -- (derived from xsd:key[@name='chem_compKey_0']) --ALTER TABLE chem_comp ADD CONSTRAINT UNQ_chem_comp UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chem_comp_angleKey_0']) --ALTER TABLE chem_comp_angle ADD CONSTRAINT UNQ_chem_comp_angle UNIQUE ( entry_id, comp_id, id ); -- (derived from xsd:key[@name='chem_comp_assemblyKey_0']) --ALTER TABLE chem_comp_assembly ADD CONSTRAINT UNQ_chem_comp_assembly UNIQUE ( entry_id, assembly_id, comp_index_id, entity_assembly_id ); -- (derived from xsd:key[@name='chem_comp_atomKey_0']) --ALTER TABLE chem_comp_atom ADD CONSTRAINT UNQ_chem_comp_atom UNIQUE ( entry_id, atom_id, comp_id ); -- (derived from xsd:key[@name='chem_comp_bio_functionKey_0']) --ALTER TABLE chem_comp_bio_function ADD CONSTRAINT UNQ_chem_comp_bio_function UNIQUE ( entry_id, biological_function, comp_id ); -- (derived from xsd:key[@name='chem_comp_bondKey_0']) --ALTER TABLE chem_comp_bond ADD CONSTRAINT UNQ_chem_comp_bond UNIQUE ( entry_id, comp_id, id ); -- (derived from xsd:key[@name='chem_comp_citationKey_0']) --ALTER TABLE chem_comp_citation ADD CONSTRAINT UNQ_chem_comp_citation UNIQUE ( entry_id, citation_id, comp_id ); -- (derived from xsd:key[@name='chem_comp_common_nameKey_0']) --ALTER TABLE chem_comp_common_name ADD CONSTRAINT UNQ_chem_comp_common_name UNIQUE ( entry_id, comp_id, name, type ); -- (derived from xsd:key[@name='chem_comp_db_linkKey_0']) --ALTER TABLE chem_comp_db_link ADD CONSTRAINT UNQ_chem_comp_db_link UNIQUE ( entry_id, accession_code, comp_id, database_code ); -- (derived from xsd:key[@name='chem_comp_descriptorKey_0']) --ALTER TABLE chem_comp_descriptor ADD CONSTRAINT UNQ_chem_comp_descriptor UNIQUE ( entry_id, comp_id, descriptor, program, program_version, type ); -- (derived from xsd:key[@name='chem_comp_identifierKey_0']) --ALTER TABLE chem_comp_identifier ADD CONSTRAINT UNQ_chem_comp_identifier UNIQUE ( entry_id, comp_id, identifier, program, program_version, type ); -- (derived from xsd:key[@name='chem_comp_keywordKey_0']) --ALTER TABLE chem_comp_keyword ADD CONSTRAINT UNQ_chem_comp_keyword UNIQUE ( entry_id, comp_id, keyword ); -- (derived from xsd:key[@name='chem_comp_smilesKey_0']) --ALTER TABLE chem_comp_smiles ADD CONSTRAINT UNQ_chem_comp_smiles UNIQUE ( entry_id, comp_id, string, type ); -- (derived from xsd:key[@name='chem_comp_systematic_nameKey_0']) --ALTER TABLE chem_comp_systematic_name ADD CONSTRAINT UNQ_chem_comp_systematic_name UNIQUE ( entry_id, comp_id, naming_system ); -- (derived from xsd:key[@name='chem_comp_torKey_0']) --ALTER TABLE chem_comp_tor ADD CONSTRAINT UNQ_chem_comp_tor UNIQUE ( entry_id, comp_id, id ); -- (derived from xsd:key[@name='chem_shift_anisotropyKey_0']) --ALTER TABLE chem_shift_anisotropy ADD CONSTRAINT UNQ_chem_shift_anisotropy UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chem_shift_completeness_charKey_0']) --ALTER TABLE chem_shift_completeness_char ADD CONSTRAINT UNQ_chem_shift_completeness_char UNIQUE ( entry_id, assigned_chem_shift_list_id, id ); -- (derived from xsd:key[@name='chem_shift_completeness_listKey_0']) --ALTER TABLE chem_shift_completeness_list ADD CONSTRAINT UNQ_chem_shift_completeness_list UNIQUE ( entry_id, assigned_chem_shift_list_id ); -- (derived from xsd:key[@name='chem_shift_experimentKey_0']) --ALTER TABLE chem_shift_experiment ADD CONSTRAINT UNQ_chem_shift_experiment UNIQUE ( entry_id, assigned_chem_shift_list_id, experiment_id ); -- (derived from xsd:key[@name='chem_shift_isotope_effect_listKey_0']) --ALTER TABLE chem_shift_isotope_effect_list ADD CONSTRAINT UNQ_chem_shift_isotope_effect_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chem_shift_perturbationKey_0']) --ALTER TABLE chem_shift_perturbation ADD CONSTRAINT UNQ_chem_shift_perturbation UNIQUE ( entry_id, chem_shift_perturbation_list_id, id ); -- (derived from xsd:key[@name='chem_shift_perturbation_experimentKey_0']) --ALTER TABLE chem_shift_perturbation_experiment ADD CONSTRAINT UNQ_chem_shift_perturbation_experiment UNIQUE ( entry_id, chem_shift_perturbation_list_id, experiment_id ); -- (derived from xsd:key[@name='chem_shift_perturbation_listKey_0']) --ALTER TABLE chem_shift_perturbation_list ADD CONSTRAINT UNQ_chem_shift_perturbation_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chem_shift_perturbation_softwareKey_0']) --ALTER TABLE chem_shift_perturbation_software ADD CONSTRAINT UNQ_chem_shift_perturbation_software UNIQUE ( entry_id, chem_shift_perturbation_list_id, software_id ); -- (derived from xsd:key[@name='chem_shift_refKey_0']) --ALTER TABLE chem_shift_ref ADD CONSTRAINT UNQ_chem_shift_ref UNIQUE ( entry_id, atom_isotope_number, atom_type, chem_shift_reference_id, mol_common_name ); -- (derived from xsd:key[@name='chem_shift_referenceKey_0']) --ALTER TABLE chem_shift_reference ADD CONSTRAINT UNQ_chem_shift_reference UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chem_shift_softwareKey_0']) --ALTER TABLE chem_shift_software ADD CONSTRAINT UNQ_chem_shift_software UNIQUE ( entry_id, assigned_chem_shift_list_id, software_id ); -- (derived from xsd:key[@name='chem_shifts_calc_softwareKey_0']) --ALTER TABLE chem_shifts_calc_software ADD CONSTRAINT UNQ_chem_shifts_calc_software UNIQUE ( entry_id, chem_shifts_calc_type_id, software_id ); -- (derived from xsd:key[@name='chem_shifts_calc_typeKey_0']) --ALTER TABLE chem_shifts_calc_type ADD CONSTRAINT UNQ_chem_shifts_calc_type UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chem_struct_descriptorKey_0']) --ALTER TABLE chem_struct_descriptor ADD CONSTRAINT UNQ_chem_struct_descriptor UNIQUE ( entry_id, comp_id, id ); -- (derived from xsd:key[@name='chemical_rateKey_0']) --ALTER TABLE chemical_rate ADD CONSTRAINT UNQ_chemical_rate UNIQUE ( entry_id, chemical_rate_list_id, id ); -- (derived from xsd:key[@name='chemical_rate_experimentKey_0']) --ALTER TABLE chemical_rate_experiment ADD CONSTRAINT UNQ_chemical_rate_experiment UNIQUE ( entry_id, chemical_rate_list_id, experiment_id ); -- (derived from xsd:key[@name='chemical_rate_listKey_0']) --ALTER TABLE chemical_rate_list ADD CONSTRAINT UNQ_chemical_rate_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chemical_rate_softwareKey_0']) --ALTER TABLE chemical_rate_software ADD CONSTRAINT UNQ_chemical_rate_software UNIQUE ( entry_id, chemical_rate_list_id, software_id ); -- (derived from xsd:key[@name='chromatographic_columnKey_0']) --ALTER TABLE chromatographic_column ADD CONSTRAINT UNQ_chromatographic_column UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='chromatographic_systemKey_0']) --ALTER TABLE chromatographic_system ADD CONSTRAINT UNQ_chromatographic_system UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='citationKey_0']) --ALTER TABLE citation ADD CONSTRAINT UNQ_citation UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='citation_authorKey_0']) --ALTER TABLE citation_author ADD CONSTRAINT UNQ_citation_author UNIQUE ( entry_id, citation_id, ordinal ); -- (derived from xsd:key[@name='citation_editorKey_0']) --ALTER TABLE citation_editor ADD CONSTRAINT UNQ_citation_editor UNIQUE ( entry_id, citation_id, ordinal ); -- (derived from xsd:key[@name='citation_keywordKey_0']) --ALTER TABLE citation_keyword ADD CONSTRAINT UNQ_citation_keyword UNIQUE ( entry_id, citation_id, keyword ); -- (derived from xsd:key[@name='computerKey_0']) --ALTER TABLE computer ADD CONSTRAINT UNQ_computer UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='computer_citationKey_0']) --ALTER TABLE computer_citation ADD CONSTRAINT UNQ_computer_citation UNIQUE ( entry_id, citation_id, computer_id ); -- (derived from xsd:key[@name='conf_family_coord_set_constr_listKey_0']) --ALTER TABLE conf_family_coord_set_constr_list ADD CONSTRAINT UNQ_conf_family_coord_set_constr_list UNIQUE ( entry_id, conformer_family_coord_set_id, constraint_list_category, constraint_list_id ); -- (derived from xsd:key[@name='conf_stats_softwareKey_0']) --ALTER TABLE conf_stats_software ADD CONSTRAINT UNQ_conf_stats_software UNIQUE ( entry_id, conformer_stat_list_id, software_id ); -- (derived from xsd:key[@name='conformer_family_coord_setKey_0']) --ALTER TABLE conformer_family_coord_set ADD CONSTRAINT UNQ_conformer_family_coord_set UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='conformer_family_coord_set_exptKey_0']) --ALTER TABLE conformer_family_coord_set_expt ADD CONSTRAINT UNQ_conformer_family_coord_set_expt UNIQUE ( entry_id, conformer_family_coord_set_id, experiment_id ); -- (derived from xsd:key[@name='conformer_family_refinementKey_0']) --ALTER TABLE conformer_family_refinement ADD CONSTRAINT UNQ_conformer_family_refinement UNIQUE ( entry_id, conformer_family_coord_set_id, refine_method ); -- (derived from xsd:key[@name='conformer_family_softwareKey_0']) --ALTER TABLE conformer_family_software ADD CONSTRAINT UNQ_conformer_family_software UNIQUE ( entry_id, conformer_family_coord_set_id, software_id ); -- (derived from xsd:key[@name='conformer_stat_listKey_0']) --ALTER TABLE conformer_stat_list ADD CONSTRAINT UNQ_conformer_stat_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='conformer_stat_list_ensKey_0']) --ALTER TABLE conformer_stat_list_ens ADD CONSTRAINT UNQ_conformer_stat_list_ens UNIQUE ( entry_id, conformer_stat_list_id ); -- (derived from xsd:key[@name='conformer_stat_list_repKey_0']) --ALTER TABLE conformer_stat_list_rep ADD CONSTRAINT UNQ_conformer_stat_list_rep UNIQUE ( entry_id, conformer_stat_list_id ); -- (derived from xsd:key[@name='constraint_fileKey_0']) --ALTER TABLE constraint_file ADD CONSTRAINT UNQ_constraint_file UNIQUE ( entry_id, constraint_filename, constraint_stat_list_id, constraint_subtype, constraint_type ); -- (derived from xsd:key[@name='constraint_stat_listKey_0']) --ALTER TABLE constraint_stat_list ADD CONSTRAINT UNQ_constraint_stat_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='constraint_stat_list_ensKey_0']) --ALTER TABLE constraint_stat_list_ens ADD CONSTRAINT UNQ_constraint_stat_list_ens UNIQUE ( entry_id, constraint_stat_list_id ); -- (derived from xsd:key[@name='constraint_stat_list_repKey_0']) --ALTER TABLE constraint_stat_list_rep ADD CONSTRAINT UNQ_constraint_stat_list_rep UNIQUE ( entry_id, constraint_stat_list_id ); -- (derived from xsd:key[@name='constraint_stats_constr_listKey_0']) --ALTER TABLE constraint_stats_constr_list ADD CONSTRAINT UNQ_constraint_stats_constr_list UNIQUE ( entry_id, constraint_list_category, constraint_list_id, constraint_stat_list_id ); -- (derived from xsd:key[@name='coupling_constantKey_0']) --ALTER TABLE coupling_constant ADD CONSTRAINT UNQ_coupling_constant UNIQUE ( entry_id, coupling_constant_list_id, id ); -- (derived from xsd:key[@name='coupling_constant_experimentKey_0']) --ALTER TABLE coupling_constant_experiment ADD CONSTRAINT UNQ_coupling_constant_experiment UNIQUE ( entry_id, coupling_constant_list_id, experiment_id ); -- (derived from xsd:key[@name='coupling_constant_listKey_0']) --ALTER TABLE coupling_constant_list ADD CONSTRAINT UNQ_coupling_constant_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='coupling_constant_softwareKey_0']) --ALTER TABLE coupling_constant_software ADD CONSTRAINT UNQ_coupling_constant_software UNIQUE ( entry_id, coupling_constant_list_id, software_id ); -- (derived from xsd:key[@name='cross_correlation_d_csaKey_0']) --ALTER TABLE cross_correlation_d_csa ADD CONSTRAINT UNQ_cross_correlation_d_csa UNIQUE ( entry_id, cross_correlation_d_csa_list_id, id ); -- (derived from xsd:key[@name='cross_correlation_d_csa_experimentKey_0']) --ALTER TABLE cross_correlation_d_csa_experiment ADD CONSTRAINT UNQ_cross_correlation_d_csa_experiment UNIQUE ( entry_id, cross_correlation_d_csa_list_id, experiment_id ); -- (derived from xsd:key[@name='cross_correlation_d_csa_listKey_0']) --ALTER TABLE cross_correlation_d_csa_list ADD CONSTRAINT UNQ_cross_correlation_d_csa_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='cross_correlation_d_csa_softwareKey_0']) --ALTER TABLE cross_correlation_d_csa_software ADD CONSTRAINT UNQ_cross_correlation_d_csa_software UNIQUE ( entry_id, cross_correlation_d_csa_list_id, software_id ); -- (derived from xsd:key[@name='cross_correlation_ddKey_0']) --ALTER TABLE cross_correlation_dd ADD CONSTRAINT UNQ_cross_correlation_dd UNIQUE ( entry_id, cross_correlation_dd_list_id, id ); -- (derived from xsd:key[@name='cross_correlation_dd_experimentKey_0']) --ALTER TABLE cross_correlation_dd_experiment ADD CONSTRAINT UNQ_cross_correlation_dd_experiment UNIQUE ( entry_id, cross_correlation_dd_list_id, experiment_id ); -- (derived from xsd:key[@name='cross_correlation_dd_listKey_0']) --ALTER TABLE cross_correlation_dd_list ADD CONSTRAINT UNQ_cross_correlation_dd_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='cross_correlation_dd_softwareKey_0']) --ALTER TABLE cross_correlation_dd_software ADD CONSTRAINT UNQ_cross_correlation_dd_software UNIQUE ( entry_id, cross_correlation_dd_list_id, software_id ); -- (derived from xsd:key[@name='cs_anisotropyKey_0']) --ALTER TABLE cs_anisotropy ADD CONSTRAINT UNQ_cs_anisotropy UNIQUE ( entry_id, chem_shift_anisotropy_id, id ); -- (derived from xsd:key[@name='cs_anisotropy_experimentKey_0']) --ALTER TABLE cs_anisotropy_experiment ADD CONSTRAINT UNQ_cs_anisotropy_experiment UNIQUE ( entry_id, chem_shift_anisotropy_id, experiment_id ); -- (derived from xsd:key[@name='cs_anisotropy_softwareKey_0']) --ALTER TABLE cs_anisotropy_software ADD CONSTRAINT UNQ_cs_anisotropy_software UNIQUE ( entry_id, chem_shift_anisotropy_id, software_id ); -- (derived from xsd:key[@name='d_h_fract_factor_experimentKey_0']) --ALTER TABLE d_h_fract_factor_experiment ADD CONSTRAINT UNQ_d_h_fract_factor_experiment UNIQUE ( entry_id, d_h_fractionation_factor_list_id, experiment_id ); -- (derived from xsd:key[@name='d_h_fract_factor_softwareKey_0']) --ALTER TABLE d_h_fract_factor_software ADD CONSTRAINT UNQ_d_h_fract_factor_software UNIQUE ( entry_id, d_h_fractionation_factor_list_id, software_id ); -- (derived from xsd:key[@name='d_h_fractionation_factorKey_0']) --ALTER TABLE d_h_fractionation_factor ADD CONSTRAINT UNQ_d_h_fractionation_factor UNIQUE ( entry_id, d_h_fractionation_factor_list_id, id ); -- (derived from xsd:key[@name='d_h_fractionation_factor_listKey_0']) --ALTER TABLE d_h_fractionation_factor_list ADD CONSTRAINT UNQ_d_h_fractionation_factor_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='data_setKey_0']) --ALTER TABLE data_set ADD CONSTRAINT UNQ_data_set UNIQUE ( entry_id, type ); -- (derived from xsd:key[@name='datumKey_0']) --ALTER TABLE datum ADD CONSTRAINT UNQ_datum UNIQUE ( entry_id, type ); -- (derived from xsd:key[@name='decoupling_pulse_sequenceKey_0']) --ALTER TABLE decoupling_pulse_sequence ADD CONSTRAINT UNQ_decoupling_pulse_sequence UNIQUE ( entry_id, name, nmr_spec_expt_id, time_period ); -- (derived from xsd:key[@name='deduced_h_bondKey_0']) --ALTER TABLE deduced_h_bond ADD CONSTRAINT UNQ_deduced_h_bond UNIQUE ( entry_id, deduced_hydrogen_bond_list_id, id ); -- (derived from xsd:key[@name='deduced_h_bond_experimentKey_0']) --ALTER TABLE deduced_h_bond_experiment ADD CONSTRAINT UNQ_deduced_h_bond_experiment UNIQUE ( entry_id, deduced_h_bond_list_id, experiment_id ); -- (derived from xsd:key[@name='deduced_h_bond_listKey_0']) --ALTER TABLE deduced_h_bond_list ADD CONSTRAINT UNQ_deduced_h_bond_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='deduced_h_bond_softwareKey_0']) --ALTER TABLE deduced_h_bond_software ADD CONSTRAINT UNQ_deduced_h_bond_software UNIQUE ( entry_id, deduced_h_bond_list_id, software_id ); -- (derived from xsd:key[@name='deduced_secd_struct_experimentKey_0']) --ALTER TABLE deduced_secd_struct_experiment ADD CONSTRAINT UNQ_deduced_secd_struct_experiment UNIQUE ( entry_id, deduced_secd_struct_list_id, experiment_id ); -- (derived from xsd:key[@name='deduced_secd_struct_exptlKey_0']) --ALTER TABLE deduced_secd_struct_exptl ADD CONSTRAINT UNQ_deduced_secd_struct_exptl UNIQUE ( entry_id, deduced_secd_struct_list_id, id ); -- (derived from xsd:key[@name='deduced_secd_struct_featureKey_0']) --ALTER TABLE deduced_secd_struct_feature ADD CONSTRAINT UNQ_deduced_secd_struct_feature UNIQUE ( entry_id, atom_id, comp_index_id, deduced_secd_struct_list_id, entity_assembly_id, id ); -- (derived from xsd:key[@name='deduced_secd_struct_listKey_0']) --ALTER TABLE deduced_secd_struct_list ADD CONSTRAINT UNQ_deduced_secd_struct_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='deduced_secd_struct_softwareKey_0']) --ALTER TABLE deduced_secd_struct_software ADD CONSTRAINT UNQ_deduced_secd_struct_software UNIQUE ( entry_id, deduced_secd_struct_list_id, software_id ); -- (derived from xsd:key[@name='dipolar_couplingKey_0']) --ALTER TABLE dipolar_coupling ADD CONSTRAINT UNQ_dipolar_coupling UNIQUE ( entry_id, dipolar_coupling_list_id, id ); -- (derived from xsd:key[@name='dipolar_coupling_experimentKey_0']) --ALTER TABLE dipolar_coupling_experiment ADD CONSTRAINT UNQ_dipolar_coupling_experiment UNIQUE ( entry_id, dipolar_coupling_list_id, experiment_id ); -- (derived from xsd:key[@name='dipolar_coupling_listKey_0']) --ALTER TABLE dipolar_coupling_list ADD CONSTRAINT UNQ_dipolar_coupling_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='dipolar_coupling_softwareKey_0']) --ALTER TABLE dipolar_coupling_software ADD CONSTRAINT UNQ_dipolar_coupling_software UNIQUE ( entry_id, dipolar_coupling_list_id, software_id ); -- (derived from xsd:key[@name='dipole_dipole_relaxKey_0']) --ALTER TABLE dipole_dipole_relax ADD CONSTRAINT UNQ_dipole_dipole_relax UNIQUE ( entry_id, dipole_dipole_relax_list_id, id ); -- (derived from xsd:key[@name='dipole_dipole_relax_experimentKey_0']) --ALTER TABLE dipole_dipole_relax_experiment ADD CONSTRAINT UNQ_dipole_dipole_relax_experiment UNIQUE ( entry_id, dipole_dipole_relax_list_id, experiment_id ); -- (derived from xsd:key[@name='dipole_dipole_relax_listKey_0']) --ALTER TABLE dipole_dipole_relax_list ADD CONSTRAINT UNQ_dipole_dipole_relax_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='dipole_dipole_relax_softwareKey_0']) --ALTER TABLE dipole_dipole_relax_software ADD CONSTRAINT UNQ_dipole_dipole_relax_software UNIQUE ( entry_id, dipole_dipole_relax_list_id, software_id ); -- (derived from xsd:key[@name='dist_constr_software_settingKey_0']) --ALTER TABLE dist_constr_software_setting ADD CONSTRAINT UNQ_dist_constr_software_setting UNIQUE ( entry_id, distance_constraint_list_id, software_id, type ); -- (derived from xsd:key[@name='dist_constraintKey_0']) --ALTER TABLE dist_constraint ADD CONSTRAINT UNQ_dist_constraint UNIQUE ( entry_id, distance_constraint_list_id, tree_node_member_constraint_id, tree_node_member_node_id ); -- (derived from xsd:key[@name='dist_constraint_comment_orgKey_0']) --ALTER TABLE dist_constraint_comment_org ADD CONSTRAINT UNQ_dist_constraint_comment_org UNIQUE ( entry_id, distance_constraint_list_id, id ); -- (derived from xsd:key[@name='dist_constraint_conv_errKey_0']) --ALTER TABLE dist_constraint_conv_err ADD CONSTRAINT UNQ_dist_constraint_conv_err UNIQUE ( entry_id, distance_constraint_list_id, id ); -- (derived from xsd:key[@name='dist_constraint_parse_errKey_0']) --ALTER TABLE dist_constraint_parse_err ADD CONSTRAINT UNQ_dist_constraint_parse_err UNIQUE ( entry_id, distance_constraint_list_id, id ); -- (derived from xsd:key[@name='dist_constraint_parse_fileKey_0']) --ALTER TABLE dist_constraint_parse_file ADD CONSTRAINT UNQ_dist_constraint_parse_file UNIQUE ( entry_id, distance_constraint_list_id, id ); -- (derived from xsd:key[@name='dist_constraint_treeKey_0']) --ALTER TABLE dist_constraint_tree ADD CONSTRAINT UNQ_dist_constraint_tree UNIQUE ( entry_id, constraint_id, distance_constraint_list_id, node_id ); -- (derived from xsd:key[@name='dist_constraint_valueKey_0']) --ALTER TABLE dist_constraint_value ADD CONSTRAINT UNQ_dist_constraint_value UNIQUE ( entry_id, constraint_id, distance_constraint_list_id, tree_node_id ); -- (derived from xsd:key[@name='distance_constraint_exptKey_0']) --ALTER TABLE distance_constraint_expt ADD CONSTRAINT UNQ_distance_constraint_expt UNIQUE ( entry_id, distance_constraint_list_id, experiment_id ); -- (derived from xsd:key[@name='distance_constraint_listKey_0']) --ALTER TABLE distance_constraint_list ADD CONSTRAINT UNQ_distance_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='distance_constraint_softwareKey_0']) --ALTER TABLE distance_constraint_software ADD CONSTRAINT UNQ_distance_constraint_software UNIQUE ( entry_id, distance_constraint_list_id, software_id ); -- (derived from xsd:key[@name='emr_exptKey_0']) --ALTER TABLE emr_expt ADD CONSTRAINT UNQ_emr_expt UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='emr_instrumentKey_0']) --ALTER TABLE emr_instrument ADD CONSTRAINT UNQ_emr_instrument UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='energetic_penalty_functionKey_0']) --ALTER TABLE energetic_penalty_function ADD CONSTRAINT UNQ_energetic_penalty_function UNIQUE ( entry_id, conformer_family_coord_set_id, function ); -- (derived from xsd:key[@name='entityKey_0']) --ALTER TABLE entity ADD CONSTRAINT UNQ_entity UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='entity_assemblyKey_0']) --ALTER TABLE entity_assembly ADD CONSTRAINT UNQ_entity_assembly UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='entity_atom_listKey_0']) --ALTER TABLE entity_atom_list ADD CONSTRAINT UNQ_entity_atom_list UNIQUE ( entry_id, entity_id, id ); -- (derived from xsd:key[@name='entity_biological_functionKey_0']) --ALTER TABLE entity_biological_function ADD CONSTRAINT UNQ_entity_biological_function UNIQUE ( entry_id, biological_function, entity_id ); -- (derived from xsd:key[@name='entity_bondKey_0']) --ALTER TABLE entity_bond ADD CONSTRAINT UNQ_entity_bond UNIQUE ( entry_id, entity_id, id ); -- (derived from xsd:key[@name='entity_chem_comp_deleted_atomKey_0']) --ALTER TABLE entity_chem_comp_deleted_atom ADD CONSTRAINT UNQ_entity_chem_comp_deleted_atom UNIQUE ( entry_id, atom_id, comp_index_id, entity_id ); -- (derived from xsd:key[@name='entity_chimera_segmentKey_0']) --ALTER TABLE entity_chimera_segment ADD CONSTRAINT UNQ_entity_chimera_segment UNIQUE ( entry_id, entity_id, id ); -- (derived from xsd:key[@name='entity_citationKey_0']) --ALTER TABLE entity_citation ADD CONSTRAINT UNQ_entity_citation UNIQUE ( entry_id, citation_id, entity_id ); -- (derived from xsd:key[@name='entity_common_nameKey_0']) --ALTER TABLE entity_common_name ADD CONSTRAINT UNQ_entity_common_name UNIQUE ( entry_id, entity_id, name, type ); -- (derived from xsd:key[@name='entity_comp_indexKey_0']) --ALTER TABLE entity_comp_index ADD CONSTRAINT UNQ_entity_comp_index UNIQUE ( entry_id, entity_id, id ); -- (derived from xsd:key[@name='entity_comp_index_altKey_0']) --ALTER TABLE entity_comp_index_alt ADD CONSTRAINT UNQ_entity_comp_index_alt UNIQUE ( entry_id, comp_id, entity_comp_index_id, entity_id ); -- (derived from xsd:key[@name='entity_db_linkKey_0']) --ALTER TABLE entity_db_link ADD CONSTRAINT UNQ_entity_db_link UNIQUE ( entry_id, accession_code, database_code, entity_id ); -- (derived from xsd:key[@name='entity_deleted_atomKey_0']) --ALTER TABLE entity_deleted_atom ADD CONSTRAINT UNQ_entity_deleted_atom UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='entity_experimental_srcKey_0']) --ALTER TABLE entity_experimental_src ADD CONSTRAINT UNQ_entity_experimental_src UNIQUE ( entry_id, entity_experimental_src_list_id, id ); -- (derived from xsd:key[@name='entity_experimental_src_listKey_0']) --ALTER TABLE entity_experimental_src_list ADD CONSTRAINT UNQ_entity_experimental_src_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='entity_keywordKey_0']) --ALTER TABLE entity_keyword ADD CONSTRAINT UNQ_entity_keyword UNIQUE ( entry_id, entity_id, keyword ); -- (derived from xsd:key[@name='entity_natural_srcKey_0']) --ALTER TABLE entity_natural_src ADD CONSTRAINT UNQ_entity_natural_src UNIQUE ( entry_id, entity_natural_src_list_id, id ); -- (derived from xsd:key[@name='entity_natural_src_listKey_0']) --ALTER TABLE entity_natural_src_list ADD CONSTRAINT UNQ_entity_natural_src_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='entity_poly_seqKey_0']) --ALTER TABLE entity_poly_seq ADD CONSTRAINT UNQ_entity_poly_seq UNIQUE ( entry_id, entity_id, num ); -- (derived from xsd:key[@name='entity_purityKey_0']) --ALTER TABLE entity_purity ADD CONSTRAINT UNQ_entity_purity UNIQUE ( entry_id, entity_purity_list_id, id ); -- (derived from xsd:key[@name='entity_purity_citationKey_0']) --ALTER TABLE entity_purity_citation ADD CONSTRAINT UNQ_entity_purity_citation UNIQUE ( entry_id, citation_id, entity_purity_list_id ); -- (derived from xsd:key[@name='entity_purity_listKey_0']) --ALTER TABLE entity_purity_list ADD CONSTRAINT UNQ_entity_purity_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='entity_systematic_nameKey_0']) --ALTER TABLE entity_systematic_name ADD CONSTRAINT UNQ_entity_systematic_name UNIQUE ( entry_id, entity_id, naming_system ); -- (derived from xsd:key[@name='entryKey_0']) --ALTER TABLE entry ADD CONSTRAINT UNQ_entry UNIQUE ( id ); -- (derived from xsd:key[@name='entry_authorKey_0']) --ALTER TABLE entry_author ADD CONSTRAINT UNQ_entry_author UNIQUE ( entry_id, ordinal ); -- (derived from xsd:key[@name='entry_experimental_methodsKey_0']) --ALTER TABLE entry_experimental_methods ADD CONSTRAINT UNQ_entry_experimental_methods UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='entry_srcKey_0']) --ALTER TABLE entry_src ADD CONSTRAINT UNQ_entry_src UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='experimentKey_0']) --ALTER TABLE experiment ADD CONSTRAINT UNQ_experiment UNIQUE ( entry_id, experiment_list_id, id ); -- (derived from xsd:key[@name='experiment_fileKey_0']) --ALTER TABLE experiment_file ADD CONSTRAINT UNQ_experiment_file UNIQUE ( entry_id, experiment_id, name ); -- (derived from xsd:key[@name='experiment_listKey_0']) --ALTER TABLE experiment_list ADD CONSTRAINT UNQ_experiment_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='floating_chiralityKey_0']) --ALTER TABLE floating_chirality ADD CONSTRAINT UNQ_floating_chirality UNIQUE ( entry_id, floating_chirality_assign_id, id ); -- (derived from xsd:key[@name='floating_chirality_assignKey_0']) --ALTER TABLE floating_chirality_assign ADD CONSTRAINT UNQ_floating_chirality_assign UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='floating_chirality_softwareKey_0']) --ALTER TABLE floating_chirality_software ADD CONSTRAINT UNQ_floating_chirality_software UNIQUE ( entry_id, floating_chirality_assign_id, software_id ); -- (derived from xsd:key[@name='fluorescence_instrumentKey_0']) --ALTER TABLE fluorescence_instrument ADD CONSTRAINT UNQ_fluorescence_instrument UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='force_constantKey_0']) --ALTER TABLE force_constant ADD CONSTRAINT UNQ_force_constant UNIQUE ( entry_id, force_constant_list_id, id ); -- (derived from xsd:key[@name='force_constant_listKey_0']) --ALTER TABLE force_constant_list ADD CONSTRAINT UNQ_force_constant_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='force_constant_softwareKey_0']) --ALTER TABLE force_constant_software ADD CONSTRAINT UNQ_force_constant_software UNIQUE ( entry_id, force_constant_list_id, software_id ); -- (derived from xsd:key[@name='fret_exptKey_0']) --ALTER TABLE fret_expt ADD CONSTRAINT UNQ_fret_expt UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='gen_dist_constraintKey_0']) --ALTER TABLE gen_dist_constraint ADD CONSTRAINT UNQ_gen_dist_constraint UNIQUE ( entry_id, gen_dist_constraint_list_id, index_id ); -- (derived from xsd:key[@name='gen_dist_constraint_comment_orgKey_0']) --ALTER TABLE gen_dist_constraint_comment_org ADD CONSTRAINT UNQ_gen_dist_constraint_comment_org UNIQUE ( entry_id, gen_dist_constraint_list_id, id ); -- (derived from xsd:key[@name='gen_dist_constraint_conv_errKey_0']) --ALTER TABLE gen_dist_constraint_conv_err ADD CONSTRAINT UNQ_gen_dist_constraint_conv_err UNIQUE ( entry_id, gen_dist_constraint_list_id, id ); -- (derived from xsd:key[@name='gen_dist_constraint_exptKey_0']) --ALTER TABLE gen_dist_constraint_expt ADD CONSTRAINT UNQ_gen_dist_constraint_expt UNIQUE ( entry_id, experiment_id, gen_dist_constraint_list_id ); -- (derived from xsd:key[@name='gen_dist_constraint_listKey_0']) --ALTER TABLE gen_dist_constraint_list ADD CONSTRAINT UNQ_gen_dist_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='gen_dist_constraint_parse_errKey_0']) --ALTER TABLE gen_dist_constraint_parse_err ADD CONSTRAINT UNQ_gen_dist_constraint_parse_err UNIQUE ( entry_id, gen_dist_constraint_list_id, id ); -- (derived from xsd:key[@name='gen_dist_constraint_parse_fileKey_0']) --ALTER TABLE gen_dist_constraint_parse_file ADD CONSTRAINT UNQ_gen_dist_constraint_parse_file UNIQUE ( entry_id, gen_dist_constraint_list_id, id ); -- (derived from xsd:key[@name='gen_dist_constraint_softwareKey_0']) --ALTER TABLE gen_dist_constraint_software ADD CONSTRAINT UNQ_gen_dist_constraint_software UNIQUE ( entry_id, gen_dist_constraint_list_id, software_id ); -- (derived from xsd:key[@name='gen_dist_constraint_software_paramKey_0']) --ALTER TABLE gen_dist_constraint_software_param ADD CONSTRAINT UNQ_gen_dist_constraint_software_param UNIQUE ( entry_id, gen_dist_constraint_list_id, software_id, type ); -- (derived from xsd:key[@name='h_chem_shift_constraintKey_0']) --ALTER TABLE h_chem_shift_constraint ADD CONSTRAINT UNQ_h_chem_shift_constraint UNIQUE ( entry_id, h_chem_shift_constraint_list_id, id ); -- (derived from xsd:key[@name='h_chem_shift_constraint_exptKey_0']) --ALTER TABLE h_chem_shift_constraint_expt ADD CONSTRAINT UNQ_h_chem_shift_constraint_expt UNIQUE ( entry_id, experiment_id, h_chem_shift_constraint_list_id ); -- (derived from xsd:key[@name='h_chem_shift_constraint_listKey_0']) --ALTER TABLE h_chem_shift_constraint_list ADD CONSTRAINT UNQ_h_chem_shift_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='h_chem_shift_constraint_softwareKey_0']) --ALTER TABLE h_chem_shift_constraint_software ADD CONSTRAINT UNQ_h_chem_shift_constraint_software UNIQUE ( entry_id, h_chem_shift_constraint_list_id, software_id ); -- (derived from xsd:key[@name='h_exch_protection_fact_experimentKey_0']) --ALTER TABLE h_exch_protection_fact_experiment ADD CONSTRAINT UNQ_h_exch_protection_fact_experiment UNIQUE ( entry_id, experiment_id, h_exch_protection_factor_list_id ); -- (derived from xsd:key[@name='h_exch_protection_fact_softwareKey_0']) --ALTER TABLE h_exch_protection_fact_software ADD CONSTRAINT UNQ_h_exch_protection_fact_software UNIQUE ( entry_id, h_exch_protection_factor_list_id, software_id ); -- (derived from xsd:key[@name='h_exch_protection_factorKey_0']) --ALTER TABLE h_exch_protection_factor ADD CONSTRAINT UNQ_h_exch_protection_factor UNIQUE ( entry_id, h_exch_protection_factor_list_id, id ); -- (derived from xsd:key[@name='h_exch_protection_factor_listKey_0']) --ALTER TABLE h_exch_protection_factor_list ADD CONSTRAINT UNQ_h_exch_protection_factor_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='h_exch_rateKey_0']) --ALTER TABLE h_exch_rate ADD CONSTRAINT UNQ_h_exch_rate UNIQUE ( entry_id, h_exch_rate_list_id, id ); -- (derived from xsd:key[@name='h_exch_rate_experimentKey_0']) --ALTER TABLE h_exch_rate_experiment ADD CONSTRAINT UNQ_h_exch_rate_experiment UNIQUE ( entry_id, experiment_id, h_exch_rate_list_id ); -- (derived from xsd:key[@name='h_exch_rate_listKey_0']) --ALTER TABLE h_exch_rate_list ADD CONSTRAINT UNQ_h_exch_rate_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='h_exch_rate_softwareKey_0']) --ALTER TABLE h_exch_rate_software ADD CONSTRAINT UNQ_h_exch_rate_software UNIQUE ( entry_id, h_exch_rate_list_id, software_id ); -- (derived from xsd:key[@name='heteronucl_noeKey_0']) --ALTER TABLE heteronucl_noe ADD CONSTRAINT UNQ_heteronucl_noe UNIQUE ( entry_id, heteronucl_noe_list_id, id ); -- (derived from xsd:key[@name='heteronucl_noe_experimentKey_0']) --ALTER TABLE heteronucl_noe_experiment ADD CONSTRAINT UNQ_heteronucl_noe_experiment UNIQUE ( entry_id, experiment_id, heteronucl_noe_list_id ); -- (derived from xsd:key[@name='heteronucl_noe_listKey_0']) --ALTER TABLE heteronucl_noe_list ADD CONSTRAINT UNQ_heteronucl_noe_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='heteronucl_noe_softwareKey_0']) --ALTER TABLE heteronucl_noe_software ADD CONSTRAINT UNQ_heteronucl_noe_software UNIQUE ( entry_id, heteronucl_noe_list_id, software_id ); -- (derived from xsd:key[@name='heteronucl_t1_experimentKey_0']) --ALTER TABLE heteronucl_t1_experiment ADD CONSTRAINT UNQ_heteronucl_t1_experiment UNIQUE ( entry_id, experiment_id, heteronucl_t1_list_id ); -- (derived from xsd:key[@name='heteronucl_t1_listKey_0']) --ALTER TABLE heteronucl_t1_list ADD CONSTRAINT UNQ_heteronucl_t1_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='heteronucl_t1_softwareKey_0']) --ALTER TABLE heteronucl_t1_software ADD CONSTRAINT UNQ_heteronucl_t1_software UNIQUE ( entry_id, heteronucl_t1_list_id, software_id ); -- (derived from xsd:key[@name='heteronucl_t1rho_experimentKey_0']) --ALTER TABLE heteronucl_t1rho_experiment ADD CONSTRAINT UNQ_heteronucl_t1rho_experiment UNIQUE ( entry_id, experiment_id, heteronucl_t1rho_list_id ); -- (derived from xsd:key[@name='heteronucl_t1rho_listKey_0']) --ALTER TABLE heteronucl_t1rho_list ADD CONSTRAINT UNQ_heteronucl_t1rho_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='heteronucl_t1rho_softwareKey_0']) --ALTER TABLE heteronucl_t1rho_software ADD CONSTRAINT UNQ_heteronucl_t1rho_software UNIQUE ( entry_id, heteronucl_t1rho_list_id, software_id ); -- (derived from xsd:key[@name='heteronucl_t2_experimentKey_0']) --ALTER TABLE heteronucl_t2_experiment ADD CONSTRAINT UNQ_heteronucl_t2_experiment UNIQUE ( entry_id, experiment_id, heteronucl_t2_list_id ); -- (derived from xsd:key[@name='heteronucl_t2_listKey_0']) --ALTER TABLE heteronucl_t2_list ADD CONSTRAINT UNQ_heteronucl_t2_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='heteronucl_t2_softwareKey_0']) --ALTER TABLE heteronucl_t2_software ADD CONSTRAINT UNQ_heteronucl_t2_software UNIQUE ( entry_id, heteronucl_t2_list_id, software_id ); -- (derived from xsd:key[@name='historyKey_0']) --ALTER TABLE history ADD CONSTRAINT UNQ_history UNIQUE ( entry_id, run_number, software_applied_history_id, software_id ); -- (derived from xsd:key[@name='homonucl_noeKey_0']) --ALTER TABLE homonucl_noe ADD CONSTRAINT UNQ_homonucl_noe UNIQUE ( entry_id, homonucl_noe_list_id, id ); -- (derived from xsd:key[@name='homonucl_noe_experimentKey_0']) --ALTER TABLE homonucl_noe_experiment ADD CONSTRAINT UNQ_homonucl_noe_experiment UNIQUE ( entry_id, experiment_id, homonucl_noe_list_id ); -- (derived from xsd:key[@name='homonucl_noe_listKey_0']) --ALTER TABLE homonucl_noe_list ADD CONSTRAINT UNQ_homonucl_noe_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='homonucl_noe_softwareKey_0']) --ALTER TABLE homonucl_noe_software ADD CONSTRAINT UNQ_homonucl_noe_software UNIQUE ( entry_id, homonucl_noe_list_id, software_id ); -- (derived from xsd:key[@name='interatomic_distKey_0']) --ALTER TABLE interatomic_dist ADD CONSTRAINT UNQ_interatomic_dist UNIQUE ( entry_id, id, interatomic_distance_list_id ); -- (derived from xsd:key[@name='interatomic_distance_listKey_0']) --ALTER TABLE interatomic_distance_list ADD CONSTRAINT UNQ_interatomic_distance_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='isotope_effectKey_0']) --ALTER TABLE isotope_effect ADD CONSTRAINT UNQ_isotope_effect UNIQUE ( entry_id, chem_shift_isotope_effect_list_id, id ); -- (derived from xsd:key[@name='isotope_effect_experimentKey_0']) --ALTER TABLE isotope_effect_experiment ADD CONSTRAINT UNQ_isotope_effect_experiment UNIQUE ( entry_id, chem_shift_isotope_effect_list_id, experiment_id ); -- (derived from xsd:key[@name='isotope_effect_softwareKey_0']) --ALTER TABLE isotope_effect_software ADD CONSTRAINT UNQ_isotope_effect_software UNIQUE ( entry_id, chem_shift_isotope_effect_list_id, software_id ); -- (derived from xsd:key[@name='isotope_label_patternKey_0']) --ALTER TABLE isotope_label_pattern ADD CONSTRAINT UNQ_isotope_label_pattern UNIQUE ( entry_id, chem_shift_isotope_effect_list_id, id ); -- (derived from xsd:key[@name='j_three_bond_constraintKey_0']) --ALTER TABLE j_three_bond_constraint ADD CONSTRAINT UNQ_j_three_bond_constraint UNIQUE ( entry_id, id, j_three_bond_constraint_list_id ); -- (derived from xsd:key[@name='j_three_bond_constraint_exptKey_0']) --ALTER TABLE j_three_bond_constraint_expt ADD CONSTRAINT UNQ_j_three_bond_constraint_expt UNIQUE ( entry_id, experiment_id, j_three_bond_constraint_list_id ); -- (derived from xsd:key[@name='j_three_bond_constraint_listKey_0']) --ALTER TABLE j_three_bond_constraint_list ADD CONSTRAINT UNQ_j_three_bond_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='j_three_bond_constraint_softwareKey_0']) --ALTER TABLE j_three_bond_constraint_software ADD CONSTRAINT UNQ_j_three_bond_constraint_software UNIQUE ( entry_id, j_three_bond_constraint_list_id, software_id ); -- (derived from xsd:key[@name='karplus_equationKey_0']) --ALTER TABLE karplus_equation ADD CONSTRAINT UNQ_karplus_equation UNIQUE ( entry_id, torsion_angle_code, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='lacs_charKey_0']) --ALTER TABLE lacs_char ADD CONSTRAINT UNQ_lacs_char UNIQUE ( entry_id, id, lacs_plot_id ); -- (derived from xsd:key[@name='lacs_plotKey_0']) --ALTER TABLE lacs_plot ADD CONSTRAINT UNQ_lacs_plot UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='local_structure_qualityKey_0']) --ALTER TABLE local_structure_quality ADD CONSTRAINT UNQ_local_structure_quality UNIQUE ( entry_id, conformer_family_coord_set_id, id ); -- (derived from xsd:key[@name='mass_specKey_0']) --ALTER TABLE mass_spec ADD CONSTRAINT UNQ_mass_spec UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='mass_spec_citationKey_0']) --ALTER TABLE mass_spec_citation ADD CONSTRAINT UNQ_mass_spec_citation UNIQUE ( entry_id, citation_id, mass_spec_id ); -- (derived from xsd:key[@name='mass_spec_component_paramKey_0']) --ALTER TABLE mass_spec_component_param ADD CONSTRAINT UNQ_mass_spec_component_param UNIQUE ( entry_id, id, mass_spec_config_id, mass_spec_id ); -- (derived from xsd:key[@name='mass_spec_configKey_0']) --ALTER TABLE mass_spec_config ADD CONSTRAINT UNQ_mass_spec_config UNIQUE ( entry_id, id, mass_spec_id ); -- (derived from xsd:key[@name='mass_spec_ref_compdKey_0']) --ALTER TABLE mass_spec_ref_compd ADD CONSTRAINT UNQ_mass_spec_ref_compd UNIQUE ( entry_id, id, mass_spec_ref_compd_set_id ); -- (derived from xsd:key[@name='mass_spec_ref_compd_setKey_0']) --ALTER TABLE mass_spec_ref_compd_set ADD CONSTRAINT UNQ_mass_spec_ref_compd_set UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='mass_spec_softwareKey_0']) --ALTER TABLE mass_spec_software ADD CONSTRAINT UNQ_mass_spec_software UNIQUE ( entry_id, mass_spec_id, software_id ); -- (derived from xsd:key[@name='mass_spectrometer_listKey_0']) --ALTER TABLE mass_spectrometer_list ADD CONSTRAINT UNQ_mass_spectrometer_list UNIQUE ( entry_id ); -- (derived from xsd:key[@name='mass_spectrometer_viewKey_0']) --ALTER TABLE mass_spectrometer_view ADD CONSTRAINT UNQ_mass_spectrometer_view UNIQUE ( entry_id, id, mass_spectrometer_list_id ); -- (derived from xsd:key[@name='matched_entriesKey_0']) --ALTER TABLE matched_entries ADD CONSTRAINT UNQ_matched_entries UNIQUE ( entry_id, database_accession_code, database_name ); -- (derived from xsd:key[@name='methodKey_0']) --ALTER TABLE method ADD CONSTRAINT UNQ_method UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='method_citationKey_0']) --ALTER TABLE method_citation ADD CONSTRAINT UNQ_method_citation UNIQUE ( entry_id, citation_id, method_id ); -- (derived from xsd:key[@name='method_fileKey_0']) --ALTER TABLE method_file ADD CONSTRAINT UNQ_method_file UNIQUE ( entry_id, method_id, name ); -- (derived from xsd:key[@name='method_paramKey_0']) --ALTER TABLE method_param ADD CONSTRAINT UNQ_method_param UNIQUE ( entry_id, file_name, method_id ); -- (derived from xsd:key[@name='model_typeKey_0']) --ALTER TABLE model_type ADD CONSTRAINT UNQ_model_type UNIQUE ( entry_id, atom_site_model_id, type ); -- (derived from xsd:key[@name='ms_chrom_ion_annotationKey_0']) --ALTER TABLE ms_chrom_ion_annotation ADD CONSTRAINT UNQ_ms_chrom_ion_annotation UNIQUE ( entry_id, id, ms_chromatogram_list_id ); -- (derived from xsd:key[@name='ms_chromatogram_experimentKey_0']) --ALTER TABLE ms_chromatogram_experiment ADD CONSTRAINT UNQ_ms_chromatogram_experiment UNIQUE ( entry_id, experiment_id, ms_chromatogram_list_id ); -- (derived from xsd:key[@name='ms_chromatogram_ionKey_0']) --ALTER TABLE ms_chromatogram_ion ADD CONSTRAINT UNQ_ms_chromatogram_ion UNIQUE ( entry_id, id, ms_chromatogram_list_id ); -- (derived from xsd:key[@name='ms_chromatogram_listKey_0']) --ALTER TABLE ms_chromatogram_list ADD CONSTRAINT UNQ_ms_chromatogram_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='ms_chromatogram_paramKey_0']) --ALTER TABLE ms_chromatogram_param ADD CONSTRAINT UNQ_ms_chromatogram_param UNIQUE ( entry_id, id, ms_chromatogram_list_id ); -- (derived from xsd:key[@name='ms_chromatogram_softwareKey_0']) --ALTER TABLE ms_chromatogram_software ADD CONSTRAINT UNQ_ms_chromatogram_software UNIQUE ( entry_id, ms_chromatogram_list_id, software_id ); -- (derived from xsd:key[@name='ms_exptKey_0']) --ALTER TABLE ms_expt ADD CONSTRAINT UNQ_ms_expt UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='ms_expt_paramKey_0']) --ALTER TABLE ms_expt_param ADD CONSTRAINT UNQ_ms_expt_param UNIQUE ( entry_id, id, ms_expt_id ); -- (derived from xsd:key[@name='ms_expt_softwareKey_0']) --ALTER TABLE ms_expt_software ADD CONSTRAINT UNQ_ms_expt_software UNIQUE ( entry_id, ms_expt_id, software_id ); -- (derived from xsd:key[@name='mz_precursor_ionKey_0']) --ALTER TABLE mz_precursor_ion ADD CONSTRAINT UNQ_mz_precursor_ion UNIQUE ( entry_id, id, mz_ratio_data_list_id ); -- (derived from xsd:key[@name='mz_precursor_ion_annotationKey_0']) --ALTER TABLE mz_precursor_ion_annotation ADD CONSTRAINT UNQ_mz_precursor_ion_annotation UNIQUE ( entry_id, id, mz_precursor_ion_id, mz_ratio_data_list_id ); -- (derived from xsd:key[@name='mz_product_ionKey_0']) --ALTER TABLE mz_product_ion ADD CONSTRAINT UNQ_mz_product_ion UNIQUE ( entry_id, id, mz_ratio_data_list_id ); -- (derived from xsd:key[@name='mz_product_ion_annotationKey_0']) --ALTER TABLE mz_product_ion_annotation ADD CONSTRAINT UNQ_mz_product_ion_annotation UNIQUE ( entry_id, id, mz_product_ion_id, mz_ratio_data_list_id ); -- (derived from xsd:key[@name='mz_ratio_data_listKey_0']) --ALTER TABLE mz_ratio_data_list ADD CONSTRAINT UNQ_mz_ratio_data_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='mz_ratio_experimentKey_0']) --ALTER TABLE mz_ratio_experiment ADD CONSTRAINT UNQ_mz_ratio_experiment UNIQUE ( entry_id, experiment_id, mz_ratio_data_list_id ); -- (derived from xsd:key[@name='mz_ratio_softwareKey_0']) --ALTER TABLE mz_ratio_software ADD CONSTRAINT UNQ_mz_ratio_software UNIQUE ( entry_id, mz_ratio_data_list_id, software_id ); -- (derived from xsd:key[@name='mz_ratio_spectrum_paramKey_0']) --ALTER TABLE mz_ratio_spectrum_param ADD CONSTRAINT UNQ_mz_ratio_spectrum_param UNIQUE ( entry_id, id, mz_ratio_data_list_id ); -- (derived from xsd:key[@name='natural_source_dbKey_0']) --ALTER TABLE natural_source_db ADD CONSTRAINT UNQ_natural_source_db UNIQUE ( entry_id, database_code, entity_natural_src_id, entity_natural_src_list_id, entry_code ); -- (derived from xsd:key[@name='nmr_experiment_citationKey_0']) --ALTER TABLE nmr_experiment_citation ADD CONSTRAINT UNQ_nmr_experiment_citation UNIQUE ( entry_id, citation_id, nmr_spec_expt_id ); -- (derived from xsd:key[@name='nmr_experiment_fileKey_0']) --ALTER TABLE nmr_experiment_file ADD CONSTRAINT UNQ_nmr_experiment_file UNIQUE ( entry_id, name, nmr_spec_expt_id ); -- (derived from xsd:key[@name='nmr_expt_systematic_nameKey_0']) --ALTER TABLE nmr_expt_systematic_name ADD CONSTRAINT UNQ_nmr_expt_systematic_name UNIQUE ( entry_id, name, naming_system, nmr_spec_expt_id ); -- (derived from xsd:key[@name='nmr_probeKey_0']) --ALTER TABLE nmr_probe ADD CONSTRAINT UNQ_nmr_probe UNIQUE ( entry_id, nmr_spectrometer_probe_id, type ); -- (derived from xsd:key[@name='nmr_spec_exptKey_0']) --ALTER TABLE nmr_spec_expt ADD CONSTRAINT UNQ_nmr_spec_expt UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='nmr_spectral_proc_softwareKey_0']) --ALTER TABLE nmr_spectral_proc_software ADD CONSTRAINT UNQ_nmr_spectral_proc_software UNIQUE ( entry_id, nmr_spectral_processing_id, software_id ); -- (derived from xsd:key[@name='nmr_spectral_processingKey_0']) --ALTER TABLE nmr_spectral_processing ADD CONSTRAINT UNQ_nmr_spectral_processing UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='nmr_spectrometerKey_0']) --ALTER TABLE nmr_spectrometer ADD CONSTRAINT UNQ_nmr_spectrometer UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='nmr_spectrometer_citationKey_0']) --ALTER TABLE nmr_spectrometer_citation ADD CONSTRAINT UNQ_nmr_spectrometer_citation UNIQUE ( entry_id, citation_id, nmr_spectrometer_id ); -- (derived from xsd:key[@name='nmr_spectrometer_listKey_0']) --ALTER TABLE nmr_spectrometer_list ADD CONSTRAINT UNQ_nmr_spectrometer_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='nmr_spectrometer_probeKey_0']) --ALTER TABLE nmr_spectrometer_probe ADD CONSTRAINT UNQ_nmr_spectrometer_probe UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='nmr_spectrometer_probe_citationKey_0']) --ALTER TABLE nmr_spectrometer_probe_citation ADD CONSTRAINT UNQ_nmr_spectrometer_probe_citation UNIQUE ( entry_id, citation_id, nmr_spectrometer_probe_id ); -- (derived from xsd:key[@name='nmr_spectrometer_viewKey_0']) --ALTER TABLE nmr_spectrometer_view ADD CONSTRAINT UNQ_nmr_spectrometer_view UNIQUE ( entry_id, id, name, nmr_spectrometer_list_id ); -- (derived from xsd:key[@name='observed_conformerKey_0']) --ALTER TABLE observed_conformer ADD CONSTRAINT UNQ_observed_conformer UNIQUE ( entry_id, atom_site_model_id, conformer_family_coord_set_id, structure_interaction_id, structure_interaction_list_id ); -- (derived from xsd:key[@name='order_paramKey_0']) --ALTER TABLE order_param ADD CONSTRAINT UNQ_order_param UNIQUE ( entry_id, id, order_parameter_list_id ); -- (derived from xsd:key[@name='order_parameter_experimentKey_0']) --ALTER TABLE order_parameter_experiment ADD CONSTRAINT UNQ_order_parameter_experiment UNIQUE ( entry_id, experiment_id, order_parameter_list_id ); -- (derived from xsd:key[@name='order_parameter_listKey_0']) --ALTER TABLE order_parameter_list ADD CONSTRAINT UNQ_order_parameter_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='order_parameter_softwareKey_0']) --ALTER TABLE order_parameter_software ADD CONSTRAINT UNQ_order_parameter_software UNIQUE ( entry_id, order_parameter_list_id, software_id ); -- (derived from xsd:key[@name='org_constr_file_commentKey_0']) --ALTER TABLE org_constr_file_comment ADD CONSTRAINT UNQ_org_constr_file_comment UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='other_constraint_exptKey_0']) --ALTER TABLE other_constraint_expt ADD CONSTRAINT UNQ_other_constraint_expt UNIQUE ( entry_id, experiment_id, other_constraint_list_id ); -- (derived from xsd:key[@name='other_constraint_listKey_0']) --ALTER TABLE other_constraint_list ADD CONSTRAINT UNQ_other_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='other_constraint_softwareKey_0']) --ALTER TABLE other_constraint_software ADD CONSTRAINT UNQ_other_constraint_software UNIQUE ( entry_id, other_constraint_list_id, software_id ); -- (derived from xsd:key[@name='other_dataKey_0']) --ALTER TABLE other_data ADD CONSTRAINT UNQ_other_data UNIQUE ( entry_id, id, other_data_type_list_id ); -- (derived from xsd:key[@name='other_data_experimentKey_0']) --ALTER TABLE other_data_experiment ADD CONSTRAINT UNQ_other_data_experiment UNIQUE ( entry_id, experiment_id, other_data_type_list_id ); -- (derived from xsd:key[@name='other_data_softwareKey_0']) --ALTER TABLE other_data_software ADD CONSTRAINT UNQ_other_data_software UNIQUE ( entry_id, other_data_type_list_id, software_id ); -- (derived from xsd:key[@name='other_data_type_listKey_0']) --ALTER TABLE other_data_type_list ADD CONSTRAINT UNQ_other_data_type_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='other_struct_featureKey_0']) --ALTER TABLE other_struct_feature ADD CONSTRAINT UNQ_other_struct_feature UNIQUE ( entry_id, id, other_struct_feature_list_id ); -- (derived from xsd:key[@name='other_struct_feature_listKey_0']) --ALTER TABLE other_struct_feature_list ADD CONSTRAINT UNQ_other_struct_feature_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='pb_charKey_0']) --ALTER TABLE pb_char ADD CONSTRAINT UNQ_pb_char UNIQUE ( entry_id, id, pb_list_id ); -- (derived from xsd:key[@name='pb_listKey_0']) --ALTER TABLE pb_list ADD CONSTRAINT UNQ_pb_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='pdbx_chem_comp_featureKey_0']) --ALTER TABLE pdbx_chem_comp_feature ADD CONSTRAINT UNQ_pdbx_chem_comp_feature UNIQUE ( entry_id, comp_id, source, type, value ); -- (derived from xsd:key[@name='pdbx_nonpoly_schemeKey_0']) --ALTER TABLE pdbx_nonpoly_scheme ADD CONSTRAINT UNQ_pdbx_nonpoly_scheme UNIQUE ( entry_id, assembly_id, entity_assembly_id ); -- (derived from xsd:key[@name='pdbx_poly_seq_schemeKey_0']) --ALTER TABLE pdbx_poly_seq_scheme ADD CONSTRAINT UNQ_pdbx_poly_seq_scheme UNIQUE ( entry_id, assembly_id, comp_index_id, entity_assembly_id ); -- (derived from xsd:key[@name='peakKey_0']) --ALTER TABLE peak ADD CONSTRAINT UNQ_peak UNIQUE ( entry_id, id, spectral_peak_list_id ); -- (derived from xsd:key[@name='peak_charKey_0']) --ALTER TABLE peak_char ADD CONSTRAINT UNQ_peak_char UNIQUE ( entry_id, peak_id, spectral_dim_id, spectral_peak_list_id ); -- (derived from xsd:key[@name='peak_constraint_linkKey_0']) --ALTER TABLE peak_constraint_link ADD CONSTRAINT UNQ_peak_constraint_link UNIQUE ( entry_id, id, peak_constraint_link_list_id ); -- (derived from xsd:key[@name='peak_constraint_link_listKey_0']) --ALTER TABLE peak_constraint_link_list ADD CONSTRAINT UNQ_peak_constraint_link_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='peak_general_charKey_0']) --ALTER TABLE peak_general_char ADD CONSTRAINT UNQ_peak_general_char UNIQUE ( entry_id, intensity_val, peak_id, spectral_peak_list_id ); -- (derived from xsd:key[@name='peak_row_formatKey_0']) --ALTER TABLE peak_row_format ADD CONSTRAINT UNQ_peak_row_format UNIQUE ( entry_id, id, spectral_peak_list_id ); -- (derived from xsd:key[@name='ph_paramKey_0']) --ALTER TABLE ph_param ADD CONSTRAINT UNQ_ph_param UNIQUE ( entry_id, id, ph_param_list_id ); -- (derived from xsd:key[@name='ph_param_listKey_0']) --ALTER TABLE ph_param_list ADD CONSTRAINT UNQ_ph_param_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='ph_titr_resultKey_0']) --ALTER TABLE ph_titr_result ADD CONSTRAINT UNQ_ph_titr_result UNIQUE ( entry_id, id, ph_titration_list_id ); -- (derived from xsd:key[@name='ph_titration_experimentKey_0']) --ALTER TABLE ph_titration_experiment ADD CONSTRAINT UNQ_ph_titration_experiment UNIQUE ( entry_id, experiment_id, ph_titration_list_id ); -- (derived from xsd:key[@name='ph_titration_listKey_0']) --ALTER TABLE ph_titration_list ADD CONSTRAINT UNQ_ph_titration_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='ph_titration_softwareKey_0']) --ALTER TABLE ph_titration_software ADD CONSTRAINT UNQ_ph_titration_software UNIQUE ( entry_id, ph_titration_list_id, software_id ); -- (derived from xsd:key[@name='rdcKey_0']) --ALTER TABLE rdc ADD CONSTRAINT UNQ_rdc UNIQUE ( entry_id, id, rdc_list_id ); -- (derived from xsd:key[@name='rdc_constraintKey_0']) --ALTER TABLE rdc_constraint ADD CONSTRAINT UNQ_rdc_constraint UNIQUE ( entry_id, index_id, rdc_constraint_list_id ); -- (derived from xsd:key[@name='rdc_constraint_comment_orgKey_0']) --ALTER TABLE rdc_constraint_comment_org ADD CONSTRAINT UNQ_rdc_constraint_comment_org UNIQUE ( entry_id, id, rdc_constraint_list_id ); -- (derived from xsd:key[@name='rdc_constraint_conv_errKey_0']) --ALTER TABLE rdc_constraint_conv_err ADD CONSTRAINT UNQ_rdc_constraint_conv_err UNIQUE ( entry_id, id, rdc_constraint_list_id ); -- (derived from xsd:key[@name='rdc_constraint_exptKey_0']) --ALTER TABLE rdc_constraint_expt ADD CONSTRAINT UNQ_rdc_constraint_expt UNIQUE ( entry_id, experiment_id, rdc_constraint_list_id ); -- (derived from xsd:key[@name='rdc_constraint_listKey_0']) --ALTER TABLE rdc_constraint_list ADD CONSTRAINT UNQ_rdc_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='rdc_constraint_parse_errKey_0']) --ALTER TABLE rdc_constraint_parse_err ADD CONSTRAINT UNQ_rdc_constraint_parse_err UNIQUE ( entry_id, id, rdc_constraint_list_id ); -- (derived from xsd:key[@name='rdc_constraint_parse_fileKey_0']) --ALTER TABLE rdc_constraint_parse_file ADD CONSTRAINT UNQ_rdc_constraint_parse_file UNIQUE ( entry_id, id, rdc_constraint_list_id ); -- (derived from xsd:key[@name='rdc_constraint_softwareKey_0']) --ALTER TABLE rdc_constraint_software ADD CONSTRAINT UNQ_rdc_constraint_software UNIQUE ( entry_id, rdc_constraint_list_id, software_id ); -- (derived from xsd:key[@name='rdc_experimentKey_0']) --ALTER TABLE rdc_experiment ADD CONSTRAINT UNQ_rdc_experiment UNIQUE ( entry_id, experiment_id, rdc_list_id ); -- (derived from xsd:key[@name='rdc_listKey_0']) --ALTER TABLE rdc_list ADD CONSTRAINT UNQ_rdc_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='rdc_softwareKey_0']) --ALTER TABLE rdc_software ADD CONSTRAINT UNQ_rdc_software UNIQUE ( entry_id, rdc_list_id, software_id ); -- (derived from xsd:key[@name='recoupling_pulse_sequenceKey_0']) --ALTER TABLE recoupling_pulse_sequence ADD CONSTRAINT UNQ_recoupling_pulse_sequence UNIQUE ( entry_id, name, nmr_spec_expt_id, time_period ); -- (derived from xsd:key[@name='related_entriesKey_0']) --ALTER TABLE related_entries ADD CONSTRAINT UNQ_related_entries UNIQUE ( entry_id, database_accession_code, database_name ); -- (derived from xsd:key[@name='releaseKey_0']) --ALTER TABLE release ADD CONSTRAINT UNQ_release UNIQUE ( entry_id, release_number ); -- (derived from xsd:key[@name='rep_confKey_0']) --ALTER TABLE rep_conf ADD CONSTRAINT UNQ_rep_conf UNIQUE ( entry_id, atom_coordinate_id, representative_conformer_id ); -- (derived from xsd:key[@name='rep_conf_refinementKey_0']) --ALTER TABLE rep_conf_refinement ADD CONSTRAINT UNQ_rep_conf_refinement UNIQUE ( entry_id, refine_method, representative_conformer_id ); -- (derived from xsd:key[@name='rep_conf_softwareKey_0']) --ALTER TABLE rep_conf_software ADD CONSTRAINT UNQ_rep_conf_software UNIQUE ( entry_id, representative_conformer_id, software_id ); -- (derived from xsd:key[@name='rep_coordinate_detailsKey_0']) --ALTER TABLE rep_coordinate_details ADD CONSTRAINT UNQ_rep_coordinate_details UNIQUE ( entry_id, footnote_id, representative_conformer_id ); -- (derived from xsd:key[@name='representative_conformerKey_0']) --ALTER TABLE representative_conformer ADD CONSTRAINT UNQ_representative_conformer UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='resonanceKey_0']) --ALTER TABLE resonance ADD CONSTRAINT UNQ_resonance UNIQUE ( entry_id, id, resonance_linker_list_id ); -- (derived from xsd:key[@name='resonance_assignmentKey_0']) --ALTER TABLE resonance_assignment ADD CONSTRAINT UNQ_resonance_assignment UNIQUE ( entry_id, atom_id, comp_index_id, entity_assembly_id, resonance_linker_list_id, resonance_set_id ); -- (derived from xsd:key[@name='resonance_covalent_linkKey_0']) --ALTER TABLE resonance_covalent_link ADD CONSTRAINT UNQ_resonance_covalent_link UNIQUE ( entry_id, resonance_id_1, resonance_id_2, resonance_linker_list_id ); -- (derived from xsd:key[@name='resonance_linker_listKey_0']) --ALTER TABLE resonance_linker_list ADD CONSTRAINT UNQ_resonance_linker_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='sampleKey_0']) --ALTER TABLE sample ADD CONSTRAINT UNQ_sample UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='sample_citationKey_0']) --ALTER TABLE sample_citation ADD CONSTRAINT UNQ_sample_citation UNIQUE ( entry_id, citation_id, sample_id ); -- (derived from xsd:key[@name='sample_componentKey_0']) --ALTER TABLE sample_component ADD CONSTRAINT UNQ_sample_component UNIQUE ( entry_id, id, sample_id ); -- (derived from xsd:key[@name='sample_component_atom_isotopeKey_0']) --ALTER TABLE sample_component_atom_isotope ADD CONSTRAINT UNQ_sample_component_atom_isotope UNIQUE ( entry_id, atom_id, atom_isotope_number, comp_index_id, entity_id, sample_component_id, sample_id ); -- (derived from xsd:key[@name='sample_condition_citationKey_0']) --ALTER TABLE sample_condition_citation ADD CONSTRAINT UNQ_sample_condition_citation UNIQUE ( entry_id, sample_condition_list_id ); -- (derived from xsd:key[@name='sample_condition_listKey_0']) --ALTER TABLE sample_condition_list ADD CONSTRAINT UNQ_sample_condition_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='sample_condition_variableKey_0']) --ALTER TABLE sample_condition_variable ADD CONSTRAINT UNQ_sample_condition_variable UNIQUE ( entry_id, sample_condition_list_id, type ); -- (derived from xsd:key[@name='saxs_constraintKey_0']) --ALTER TABLE saxs_constraint ADD CONSTRAINT UNQ_saxs_constraint UNIQUE ( entry_id, id, saxs_constraint_list_id ); -- (derived from xsd:key[@name='saxs_constraint_exptKey_0']) --ALTER TABLE saxs_constraint_expt ADD CONSTRAINT UNQ_saxs_constraint_expt UNIQUE ( entry_id, experiment_id, sample_id, saxs_constraint_list_id ); -- (derived from xsd:key[@name='saxs_constraint_listKey_0']) --ALTER TABLE saxs_constraint_list ADD CONSTRAINT UNQ_saxs_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='saxs_constraint_softwareKey_0']) --ALTER TABLE saxs_constraint_software ADD CONSTRAINT UNQ_saxs_constraint_software UNIQUE ( entry_id, saxs_constraint_list_id, software_id ); -- (derived from xsd:key[@name='saxs_exptKey_0']) --ALTER TABLE saxs_expt ADD CONSTRAINT UNQ_saxs_expt UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='secondary_structKey_0']) --ALTER TABLE secondary_struct ADD CONSTRAINT UNQ_secondary_struct UNIQUE ( entry_id, id, secondary_struct_list_id ); -- (derived from xsd:key[@name='secondary_struct_listKey_0']) --ALTER TABLE secondary_struct_list ADD CONSTRAINT UNQ_secondary_struct_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='secondary_struct_selKey_0']) --ALTER TABLE secondary_struct_sel ADD CONSTRAINT UNQ_secondary_struct_sel UNIQUE ( entry_id, method_id, secondary_struct_list_id ); -- (derived from xsd:key[@name='sg_projectKey_0']) --ALTER TABLE sg_project ADD CONSTRAINT UNQ_sg_project UNIQUE ( entry_id, sg_project_id ); -- (derived from xsd:key[@name='softwareKey_0']) --ALTER TABLE software ADD CONSTRAINT UNQ_software UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='software_applied_historyKey_0']) --ALTER TABLE software_applied_history ADD CONSTRAINT UNQ_software_applied_history UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='software_applied_listKey_0']) --ALTER TABLE software_applied_list ADD CONSTRAINT UNQ_software_applied_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='software_applied_methodsKey_0']) --ALTER TABLE software_applied_methods ADD CONSTRAINT UNQ_software_applied_methods UNIQUE ( entry_id, software_applied_list_id, software_id ); -- (derived from xsd:key[@name='software_citationKey_0']) --ALTER TABLE software_citation ADD CONSTRAINT UNQ_software_citation UNIQUE ( entry_id, citation_id, software_id ); -- (derived from xsd:key[@name='software_specific_infoKey_0']) --ALTER TABLE software_specific_info ADD CONSTRAINT UNQ_software_specific_info UNIQUE ( entry_id, software_saveframe_id, software_specific_info_list_id ); -- (derived from xsd:key[@name='software_specific_info_listKey_0']) --ALTER TABLE software_specific_info_list ADD CONSTRAINT UNQ_software_specific_info_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='spectral_acq_paramKey_0']) --ALTER TABLE spectral_acq_param ADD CONSTRAINT UNQ_spectral_acq_param UNIQUE ( entry_id, id, nmr_spec_expt_id ); -- (derived from xsd:key[@name='spectral_densityKey_0']) --ALTER TABLE spectral_density ADD CONSTRAINT UNQ_spectral_density UNIQUE ( entry_id, id, spectral_density_list_id ); -- (derived from xsd:key[@name='spectral_density_experimentKey_0']) --ALTER TABLE spectral_density_experiment ADD CONSTRAINT UNQ_spectral_density_experiment UNIQUE ( entry_id, experiment_id, spectral_density_list_id ); -- (derived from xsd:key[@name='spectral_density_listKey_0']) --ALTER TABLE spectral_density_list ADD CONSTRAINT UNQ_spectral_density_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='spectral_density_softwareKey_0']) --ALTER TABLE spectral_density_software ADD CONSTRAINT UNQ_spectral_density_software UNIQUE ( entry_id, software_id, spectral_density_list_id ); -- (derived from xsd:key[@name='spectral_dimKey_0']) --ALTER TABLE spectral_dim ADD CONSTRAINT UNQ_spectral_dim UNIQUE ( entry_id, atom_type, id, spectral_peak_list_id, spectral_region ); -- (derived from xsd:key[@name='spectral_dim_transferKey_0']) --ALTER TABLE spectral_dim_transfer ADD CONSTRAINT UNQ_spectral_dim_transfer UNIQUE ( entry_id, spectral_dim_id_1, spectral_dim_id_2, spectral_peak_list_id ); -- (derived from xsd:key[@name='spectral_peak_listKey_0']) --ALTER TABLE spectral_peak_list ADD CONSTRAINT UNQ_spectral_peak_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='spectral_peak_softwareKey_0']) --ALTER TABLE spectral_peak_software ADD CONSTRAINT UNQ_spectral_peak_software UNIQUE ( entry_id, software_id, spectral_peak_list_id ); -- (derived from xsd:key[@name='spectral_processing_paramKey_0']) --ALTER TABLE spectral_processing_param ADD CONSTRAINT UNQ_spectral_processing_param UNIQUE ( entry_id, id, nmr_spectral_processing_id ); -- (derived from xsd:key[@name='spectral_transitionKey_0']) --ALTER TABLE spectral_transition ADD CONSTRAINT UNQ_spectral_transition UNIQUE ( entry_id, id, spectral_peak_list_id ); -- (derived from xsd:key[@name='spectral_transition_charKey_0']) --ALTER TABLE spectral_transition_char ADD CONSTRAINT UNQ_spectral_transition_char UNIQUE ( entry_id, spectral_dim_id, spectral_peak_list_id, spectral_transition_id ); -- (derived from xsd:key[@name='spectral_transition_general_charKey_0']) --ALTER TABLE spectral_transition_general_char ADD CONSTRAINT UNQ_spectral_transition_general_char UNIQUE ( entry_id, intensity_val, spectral_peak_list_id, spectral_transition_id ); -- (derived from xsd:key[@name='spin_systemKey_0']) --ALTER TABLE spin_system ADD CONSTRAINT UNQ_spin_system UNIQUE ( entry_id, id, resonance_linker_list_id ); -- (derived from xsd:key[@name='spin_system_linkKey_0']) --ALTER TABLE spin_system_link ADD CONSTRAINT UNQ_spin_system_link UNIQUE ( entry_id, from_spin_system_id, resonance_linker_list_id, to_spin_system_id ); -- (derived from xsd:key[@name='struct_anno_charKey_0']) --ALTER TABLE struct_anno_char ADD CONSTRAINT UNQ_struct_anno_char UNIQUE ( entry_id, id, structure_annotation_id ); -- (derived from xsd:key[@name='struct_anno_softwareKey_0']) --ALTER TABLE struct_anno_software ADD CONSTRAINT UNQ_struct_anno_software UNIQUE ( entry_id, software_id, structure_annotation_id ); -- (derived from xsd:key[@name='struct_asymKey_0']) --ALTER TABLE struct_asym ADD CONSTRAINT UNQ_struct_asym UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='struct_classificationKey_0']) --ALTER TABLE struct_classification ADD CONSTRAINT UNQ_struct_classification UNIQUE ( entry_id, id, structure_annotation_id ); -- (derived from xsd:key[@name='struct_imageKey_0']) --ALTER TABLE struct_image ADD CONSTRAINT UNQ_struct_image UNIQUE ( entry_id, conformer_family_coord_set_id, file_name ); -- (derived from xsd:key[@name='struct_keywordsKey_0']) --ALTER TABLE struct_keywords ADD CONSTRAINT UNQ_struct_keywords UNIQUE ( entry_id, keywords ); -- (derived from xsd:key[@name='structure_annotationKey_0']) --ALTER TABLE structure_annotation ADD CONSTRAINT UNQ_structure_annotation UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='structure_interactionKey_0']) --ALTER TABLE structure_interaction ADD CONSTRAINT UNQ_structure_interaction UNIQUE ( entry_id, id, structure_interaction_list_id ); -- (derived from xsd:key[@name='structure_interaction_listKey_0']) --ALTER TABLE structure_interaction_list ADD CONSTRAINT UNQ_structure_interaction_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='studyKey_0']) --ALTER TABLE study ADD CONSTRAINT UNQ_study UNIQUE ( entry_id, id, study_list_id ); -- (derived from xsd:key[@name='study_entry_listKey_0']) --ALTER TABLE study_entry_list ADD CONSTRAINT UNQ_study_entry_list UNIQUE ( entry_id, bmrb_accession_code, study_id, study_list_id ); -- (derived from xsd:key[@name='study_keywordKey_0']) --ALTER TABLE study_keyword ADD CONSTRAINT UNQ_study_keyword UNIQUE ( entry_id, keyword, study_id, study_list_id ); -- (derived from xsd:key[@name='study_listKey_0']) --ALTER TABLE study_list ADD CONSTRAINT UNQ_study_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='subsystem_biological_functionKey_0']) --ALTER TABLE subsystem_biological_function ADD CONSTRAINT UNQ_subsystem_biological_function UNIQUE ( entry_id, assembly_subsystem_id, biological_function ); -- (derived from xsd:key[@name='subsystem_citationKey_0']) --ALTER TABLE subsystem_citation ADD CONSTRAINT UNQ_subsystem_citation UNIQUE ( entry_id, assembly_subsystem_id, citation_id ); -- (derived from xsd:key[@name='subsystem_common_nameKey_0']) --ALTER TABLE subsystem_common_name ADD CONSTRAINT UNQ_subsystem_common_name UNIQUE ( entry_id, assembly_subsystem_id, name ); -- (derived from xsd:key[@name='subsystem_componentKey_0']) --ALTER TABLE subsystem_component ADD CONSTRAINT UNQ_subsystem_component UNIQUE ( entry_id, assembly_subsystem_id, entity_assembly_id ); -- (derived from xsd:key[@name='subsystem_db_linkKey_0']) --ALTER TABLE subsystem_db_link ADD CONSTRAINT UNQ_subsystem_db_link UNIQUE ( entry_id, accession_code, assembly_subsystem_id, database_code ); -- (derived from xsd:key[@name='subsystem_keywordKey_0']) --ALTER TABLE subsystem_keyword ADD CONSTRAINT UNQ_subsystem_keyword UNIQUE ( entry_id, assembly_subsystem_id, keyword ); -- (derived from xsd:key[@name='subsystem_typeKey_0']) --ALTER TABLE subsystem_type ADD CONSTRAINT UNQ_subsystem_type UNIQUE ( entry_id, assembly_subsystem_id, type ); -- (derived from xsd:key[@name='systematic_chem_shift_offsetKey_0']) --ALTER TABLE systematic_chem_shift_offset ADD CONSTRAINT UNQ_systematic_chem_shift_offset UNIQUE ( entry_id, assigned_chem_shift_list_id, type ); -- (derived from xsd:key[@name='t1Key_0']) --ALTER TABLE t1 ADD CONSTRAINT UNQ_t1 UNIQUE ( entry_id, heteronucl_t1_list_id, id ); -- (derived from xsd:key[@name='t1rhoKey_0']) --ALTER TABLE t1rho ADD CONSTRAINT UNQ_t1rho UNIQUE ( entry_id, heteronucl_t1rho_list_id, id ); -- (derived from xsd:key[@name='t2Key_0']) --ALTER TABLE t2 ADD CONSTRAINT UNQ_t2 UNIQUE ( entry_id, heteronucl_t2_list_id, id ); -- (derived from xsd:key[@name='ta_constraint_comment_orgKey_0']) --ALTER TABLE ta_constraint_comment_org ADD CONSTRAINT UNQ_ta_constraint_comment_org UNIQUE ( entry_id, id, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='ta_constraint_conv_errKey_0']) --ALTER TABLE ta_constraint_conv_err ADD CONSTRAINT UNQ_ta_constraint_conv_err UNIQUE ( entry_id, id, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='ta_constraint_parse_errKey_0']) --ALTER TABLE ta_constraint_parse_err ADD CONSTRAINT UNQ_ta_constraint_parse_err UNIQUE ( entry_id, id, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='ta_constraint_parse_fileKey_0']) --ALTER TABLE ta_constraint_parse_file ADD CONSTRAINT UNQ_ta_constraint_parse_file UNIQUE ( entry_id, id, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='taskKey_0']) --ALTER TABLE task ADD CONSTRAINT UNQ_task UNIQUE ( entry_id, software_id, task ); -- (derived from xsd:key[@name='tensorKey_0']) --ALTER TABLE tensor ADD CONSTRAINT UNQ_tensor UNIQUE ( entry_id, id, tensor_list_id ); -- (derived from xsd:key[@name='tensor_listKey_0']) --ALTER TABLE tensor_list ADD CONSTRAINT UNQ_tensor_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='terminal_residueKey_0']) --ALTER TABLE terminal_residue ADD CONSTRAINT UNQ_terminal_residue UNIQUE ( entry_id, comp_index_id, entity_id, representative_conformer_id ); -- (derived from xsd:key[@name='tertiary_structKey_0']) --ALTER TABLE tertiary_struct ADD CONSTRAINT UNQ_tertiary_struct UNIQUE ( entry_id, atom_id, comp_index_id, entity_assembly_id, id, tertiary_struct_element_list_id ); -- (derived from xsd:key[@name='tertiary_struct_element_listKey_0']) --ALTER TABLE tertiary_struct_element_list ADD CONSTRAINT UNQ_tertiary_struct_element_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='tertiary_struct_element_selKey_0']) --ALTER TABLE tertiary_struct_element_sel ADD CONSTRAINT UNQ_tertiary_struct_element_sel UNIQUE ( entry_id, method_id, tertiary_struct_element_list_id ); -- (derived from xsd:key[@name='theoretical_auto_relaxationKey_0']) --ALTER TABLE theoretical_auto_relaxation ADD CONSTRAINT UNQ_theoretical_auto_relaxation UNIQUE ( entry_id, id, theoretical_auto_relaxation_list_id ); -- (derived from xsd:key[@name='theoretical_auto_relaxation_experimentKey_0']) --ALTER TABLE theoretical_auto_relaxation_experiment ADD CONSTRAINT UNQ_theoretical_auto_relaxation_experiment UNIQUE ( entry_id, experiment_id, theoretical_auto_relaxation_list_id ); -- (derived from xsd:key[@name='theoretical_auto_relaxation_listKey_0']) --ALTER TABLE theoretical_auto_relaxation_list ADD CONSTRAINT UNQ_theoretical_auto_relaxation_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='theoretical_auto_relaxation_softwareKey_0']) --ALTER TABLE theoretical_auto_relaxation_software ADD CONSTRAINT UNQ_theoretical_auto_relaxation_software UNIQUE ( entry_id, software_id, theoretical_auto_relaxation_list_id ); -- (derived from xsd:key[@name='theoretical_chem_shiftKey_0']) --ALTER TABLE theoretical_chem_shift ADD CONSTRAINT UNQ_theoretical_chem_shift UNIQUE ( entry_id, id, theoretical_chem_shift_list_id ); -- (derived from xsd:key[@name='theoretical_chem_shift_listKey_0']) --ALTER TABLE theoretical_chem_shift_list ADD CONSTRAINT UNQ_theoretical_chem_shift_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='theoretical_coupling_constantKey_0']) --ALTER TABLE theoretical_coupling_constant ADD CONSTRAINT UNQ_theoretical_coupling_constant UNIQUE ( entry_id, id, theoretical_coupling_constant_list_id ); -- (derived from xsd:key[@name='theoretical_coupling_constant_experimentKey_0']) --ALTER TABLE theoretical_coupling_constant_experiment ADD CONSTRAINT UNQ_theoretical_coupling_constant_experiment UNIQUE ( entry_id, experiment_id, theoretical_coupling_constant_list_id ); -- (derived from xsd:key[@name='theoretical_coupling_constant_listKey_0']) --ALTER TABLE theoretical_coupling_constant_list ADD CONSTRAINT UNQ_theoretical_coupling_constant_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='theoretical_coupling_constant_softwareKey_0']) --ALTER TABLE theoretical_coupling_constant_software ADD CONSTRAINT UNQ_theoretical_coupling_constant_software UNIQUE ( entry_id, software_id, theoretical_coupling_constant_list_id ); -- (derived from xsd:key[@name='theoretical_cross_correlation_ddKey_0']) --ALTER TABLE theoretical_cross_correlation_dd ADD CONSTRAINT UNQ_theoretical_cross_correlation_dd UNIQUE ( entry_id, id, theoretical_cross_correlation_dd_list_id ); -- (derived from xsd:key[@name='theoretical_cross_correlation_dd_experimentKey_0']) --ALTER TABLE theoretical_cross_correlation_dd_experiment ADD CONSTRAINT UNQ_theoretical_cross_correlation_dd_experiment UNIQUE ( entry_id, experiment_id, theoretical_cross_correlation_dd_list_id ); -- (derived from xsd:key[@name='theoretical_cross_correlation_dd_listKey_0']) --ALTER TABLE theoretical_cross_correlation_dd_list ADD CONSTRAINT UNQ_theoretical_cross_correlation_dd_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='theoretical_cross_correlation_dd_softwareKey_0']) --ALTER TABLE theoretical_cross_correlation_dd_software ADD CONSTRAINT UNQ_theoretical_cross_correlation_dd_software UNIQUE ( entry_id, software_id, theoretical_cross_correlation_dd_list_id ); -- (derived from xsd:key[@name='theoretical_heteronucl_noeKey_0']) --ALTER TABLE theoretical_heteronucl_noe ADD CONSTRAINT UNQ_theoretical_heteronucl_noe UNIQUE ( entry_id, id, theoretical_heteronucl_noe_list_id ); -- (derived from xsd:key[@name='theoretical_heteronucl_noe_experimentKey_0']) --ALTER TABLE theoretical_heteronucl_noe_experiment ADD CONSTRAINT UNQ_theoretical_heteronucl_noe_experiment UNIQUE ( entry_id, experiment_id, theoretical_heteronucl_noe_list_id ); -- (derived from xsd:key[@name='theoretical_heteronucl_noe_listKey_0']) --ALTER TABLE theoretical_heteronucl_noe_list ADD CONSTRAINT UNQ_theoretical_heteronucl_noe_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='theoretical_heteronucl_noe_softwareKey_0']) --ALTER TABLE theoretical_heteronucl_noe_software ADD CONSTRAINT UNQ_theoretical_heteronucl_noe_software UNIQUE ( entry_id, software_id, theoretical_heteronucl_noe_list_id ); -- (derived from xsd:key[@name='theoretical_heteronucl_t1_experimentKey_0']) --ALTER TABLE theoretical_heteronucl_t1_experiment ADD CONSTRAINT UNQ_theoretical_heteronucl_t1_experiment UNIQUE ( entry_id, experiment_id, theoretical_heteronucl_t1_list_id ); -- (derived from xsd:key[@name='theoretical_heteronucl_t1_listKey_0']) --ALTER TABLE theoretical_heteronucl_t1_list ADD CONSTRAINT UNQ_theoretical_heteronucl_t1_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='theoretical_heteronucl_t1_softwareKey_0']) --ALTER TABLE theoretical_heteronucl_t1_software ADD CONSTRAINT UNQ_theoretical_heteronucl_t1_software UNIQUE ( entry_id, software_id, theoretical_heteronucl_t1_list_id ); -- (derived from xsd:key[@name='theoretical_heteronucl_t2_experimentKey_0']) --ALTER TABLE theoretical_heteronucl_t2_experiment ADD CONSTRAINT UNQ_theoretical_heteronucl_t2_experiment UNIQUE ( entry_id, experiment_id, theoretical_heteronucl_t2_list_id ); -- (derived from xsd:key[@name='theoretical_heteronucl_t2_listKey_0']) --ALTER TABLE theoretical_heteronucl_t2_list ADD CONSTRAINT UNQ_theoretical_heteronucl_t2_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='theoretical_heteronucl_t2_softwareKey_0']) --ALTER TABLE theoretical_heteronucl_t2_software ADD CONSTRAINT UNQ_theoretical_heteronucl_t2_software UNIQUE ( entry_id, software_id, theoretical_heteronucl_t2_list_id ); -- (derived from xsd:key[@name='theoretical_t1Key_0']) --ALTER TABLE theoretical_t1 ADD CONSTRAINT UNQ_theoretical_t1 UNIQUE ( entry_id, id, theoretical_heteronucl_t1_list_id ); -- (derived from xsd:key[@name='theoretical_t2Key_0']) --ALTER TABLE theoretical_t2 ADD CONSTRAINT UNQ_theoretical_t2 UNIQUE ( entry_id, id, theoretical_heteronucl_t2_list_id ); -- (derived from xsd:key[@name='torsion_angleKey_0']) --ALTER TABLE torsion_angle ADD CONSTRAINT UNQ_torsion_angle UNIQUE ( entry_id, assembly_id, id ); -- (derived from xsd:key[@name='torsion_angle_constraintKey_0']) --ALTER TABLE torsion_angle_constraint ADD CONSTRAINT UNQ_torsion_angle_constraint UNIQUE ( entry_id, id, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='torsion_angle_constraint_listKey_0']) --ALTER TABLE torsion_angle_constraint_list ADD CONSTRAINT UNQ_torsion_angle_constraint_list UNIQUE ( entry_id, id ); -- (derived from xsd:key[@name='torsion_angle_constraint_softwareKey_0']) --ALTER TABLE torsion_angle_constraint_software ADD CONSTRAINT UNQ_torsion_angle_constraint_software UNIQUE ( entry_id, software_id, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='torsion_angle_constraints_exptKey_0']) --ALTER TABLE torsion_angle_constraints_expt ADD CONSTRAINT UNQ_torsion_angle_constraints_expt UNIQUE ( entry_id, experiment_id, torsion_angle_constraint_list_id ); -- (derived from xsd:key[@name='vendorKey_0']) --ALTER TABLE vendor ADD CONSTRAINT UNQ_vendor UNIQUE ( entry_id, name, software_id ); -- (derived from xsd:key[@name='xray_instrumentKey_0']) --ALTER TABLE xray_instrument ADD CONSTRAINT UNQ_xray_instrument UNIQUE ( entry_id, id ); -- (derived from xsd:keyref[@name='entryKeyref_0_0_0_0']) --ALTER TABLE angular_order_param ADD CONSTRAINT KR_entryKeyref_0_0_0_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_1_0']) --ALTER TABLE angular_order_parameter_list ADD CONSTRAINT KR_entryKeyref_0_0_1_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_2_0']) --ALTER TABLE assembly ADD CONSTRAINT KR_entryKeyref_0_0_2_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_3_0']) --ALTER TABLE assembly_annotation_list ADD CONSTRAINT KR_entryKeyref_0_0_3_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_4_0']) --ALTER TABLE assembly_subsystem ADD CONSTRAINT KR_entryKeyref_0_0_4_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_5_0']) --ALTER TABLE assigned_chem_shift_list ADD CONSTRAINT KR_entryKeyref_0_0_5_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_6_0']) --ALTER TABLE atom_site ADD CONSTRAINT KR_entryKeyref_0_0_6_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_7_0']) --ALTER TABLE atom_sites_footnote ADD CONSTRAINT KR_entryKeyref_0_0_7_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_8_0']) --ALTER TABLE auto_relaxation ADD CONSTRAINT KR_entryKeyref_0_0_8_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_9_0']) --ALTER TABLE auto_relaxation_experiment ADD CONSTRAINT KR_entryKeyref_0_0_9_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_10_0']) --ALTER TABLE auto_relaxation_list ADD CONSTRAINT KR_entryKeyref_0_0_10_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_11_0']) --ALTER TABLE auto_relaxation_software ADD CONSTRAINT KR_entryKeyref_0_0_11_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_12_0']) --ALTER TABLE auxiliary_files ADD CONSTRAINT KR_entryKeyref_0_0_12_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_13_0']) --ALTER TABLE binding_experiment ADD CONSTRAINT KR_entryKeyref_0_0_13_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_14_0']) --ALTER TABLE binding_param ADD CONSTRAINT KR_entryKeyref_0_0_14_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_15_0']) --ALTER TABLE binding_param_list ADD CONSTRAINT KR_entryKeyref_0_0_15_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_16_0']) --ALTER TABLE binding_partners ADD CONSTRAINT KR_entryKeyref_0_0_16_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_17_0']) --ALTER TABLE binding_result ADD CONSTRAINT KR_entryKeyref_0_0_17_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_18_0']) --ALTER TABLE binding_software ADD CONSTRAINT KR_entryKeyref_0_0_18_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_19_0']) --ALTER TABLE binding_value_list ADD CONSTRAINT KR_entryKeyref_0_0_19_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_20_0']) --ALTER TABLE bond_annotation ADD CONSTRAINT KR_entryKeyref_0_0_20_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_21_0']) --ALTER TABLE bond_annotation_list ADD CONSTRAINT KR_entryKeyref_0_0_21_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_22_0']) --ALTER TABLE bond_observed_conformer ADD CONSTRAINT KR_entryKeyref_0_0_22_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_23_0']) --ALTER TABLE ca_cb_constraint ADD CONSTRAINT KR_entryKeyref_0_0_23_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_24_0']) --ALTER TABLE ca_cb_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_24_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_25_0']) --ALTER TABLE ca_cb_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_25_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_26_0']) --ALTER TABLE ca_cb_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_26_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_27_0']) --ALTER TABLE chem_comp ADD CONSTRAINT KR_entryKeyref_0_0_27_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_28_0']) --ALTER TABLE chem_comp_atom ADD CONSTRAINT KR_entryKeyref_0_0_28_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_29_0']) --ALTER TABLE chem_shift_anisotropy ADD CONSTRAINT KR_entryKeyref_0_0_29_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_30_0']) --ALTER TABLE chem_shift_completeness_char ADD CONSTRAINT KR_entryKeyref_0_0_30_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_31_0']) --ALTER TABLE chem_shift_completeness_list ADD CONSTRAINT KR_entryKeyref_0_0_31_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_32_0']) --ALTER TABLE chem_shift_isotope_effect_list ADD CONSTRAINT KR_entryKeyref_0_0_32_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_33_0']) --ALTER TABLE chem_shift_perturbation_list ADD CONSTRAINT KR_entryKeyref_0_0_33_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_34_0']) --ALTER TABLE chem_shift_reference ADD CONSTRAINT KR_entryKeyref_0_0_34_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_35_0']) --ALTER TABLE chem_shifts_calc_type ADD CONSTRAINT KR_entryKeyref_0_0_35_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_36_0']) --ALTER TABLE chemical_rate ADD CONSTRAINT KR_entryKeyref_0_0_36_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_37_0']) --ALTER TABLE chemical_rate_experiment ADD CONSTRAINT KR_entryKeyref_0_0_37_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_38_0']) --ALTER TABLE chemical_rate_list ADD CONSTRAINT KR_entryKeyref_0_0_38_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_39_0']) --ALTER TABLE chemical_rate_software ADD CONSTRAINT KR_entryKeyref_0_0_39_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_40_0']) --ALTER TABLE chromatographic_column ADD CONSTRAINT KR_entryKeyref_0_0_40_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_41_0']) --ALTER TABLE chromatographic_system ADD CONSTRAINT KR_entryKeyref_0_0_41_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_42_0']) --ALTER TABLE citation ADD CONSTRAINT KR_entryKeyref_0_0_42_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_43_0']) --ALTER TABLE computer ADD CONSTRAINT KR_entryKeyref_0_0_43_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_44_0']) --ALTER TABLE conf_family_coord_set_constr_list ADD CONSTRAINT KR_entryKeyref_0_0_44_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_45_0']) --ALTER TABLE conf_stats_software ADD CONSTRAINT KR_entryKeyref_0_0_45_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_46_0']) --ALTER TABLE conformer_family_coord_set ADD CONSTRAINT KR_entryKeyref_0_0_46_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_47_0']) --ALTER TABLE conformer_family_coord_set_expt ADD CONSTRAINT KR_entryKeyref_0_0_47_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_48_0']) --ALTER TABLE conformer_family_refinement ADD CONSTRAINT KR_entryKeyref_0_0_48_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_49_0']) --ALTER TABLE conformer_family_software ADD CONSTRAINT KR_entryKeyref_0_0_49_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_50_0']) --ALTER TABLE conformer_stat_list ADD CONSTRAINT KR_entryKeyref_0_0_50_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_51_0']) --ALTER TABLE conformer_stat_list_ens ADD CONSTRAINT KR_entryKeyref_0_0_51_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_52_0']) --ALTER TABLE conformer_stat_list_rep ADD CONSTRAINT KR_entryKeyref_0_0_52_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_53_0']) --ALTER TABLE constraint_file ADD CONSTRAINT KR_entryKeyref_0_0_53_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_54_0']) --ALTER TABLE constraint_stat_list ADD CONSTRAINT KR_entryKeyref_0_0_54_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_55_0']) --ALTER TABLE constraint_stat_list_ens ADD CONSTRAINT KR_entryKeyref_0_0_55_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_56_0']) --ALTER TABLE constraint_stat_list_rep ADD CONSTRAINT KR_entryKeyref_0_0_56_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_57_0']) --ALTER TABLE constraint_stats_constr_list ADD CONSTRAINT KR_entryKeyref_0_0_57_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_58_0']) --ALTER TABLE coupling_constant_list ADD CONSTRAINT KR_entryKeyref_0_0_58_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_59_0']) --ALTER TABLE cross_correlation_d_csa ADD CONSTRAINT KR_entryKeyref_0_0_59_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_60_0']) --ALTER TABLE cross_correlation_d_csa_experiment ADD CONSTRAINT KR_entryKeyref_0_0_60_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_61_0']) --ALTER TABLE cross_correlation_d_csa_list ADD CONSTRAINT KR_entryKeyref_0_0_61_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_62_0']) --ALTER TABLE cross_correlation_d_csa_software ADD CONSTRAINT KR_entryKeyref_0_0_62_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_63_0']) --ALTER TABLE cross_correlation_dd ADD CONSTRAINT KR_entryKeyref_0_0_63_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_64_0']) --ALTER TABLE cross_correlation_dd_experiment ADD CONSTRAINT KR_entryKeyref_0_0_64_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_65_0']) --ALTER TABLE cross_correlation_dd_list ADD CONSTRAINT KR_entryKeyref_0_0_65_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_66_0']) --ALTER TABLE cross_correlation_dd_software ADD CONSTRAINT KR_entryKeyref_0_0_66_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_67_0']) --ALTER TABLE d_h_fract_factor_experiment ADD CONSTRAINT KR_entryKeyref_0_0_67_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_68_0']) --ALTER TABLE d_h_fract_factor_software ADD CONSTRAINT KR_entryKeyref_0_0_68_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_69_0']) --ALTER TABLE d_h_fractionation_factor ADD CONSTRAINT KR_entryKeyref_0_0_69_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_70_0']) --ALTER TABLE d_h_fractionation_factor_list ADD CONSTRAINT KR_entryKeyref_0_0_70_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_71_0']) --ALTER TABLE data_set ADD CONSTRAINT KR_entryKeyref_0_0_71_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_72_0']) --ALTER TABLE datum ADD CONSTRAINT KR_entryKeyref_0_0_72_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_73_0']) --ALTER TABLE deduced_h_bond ADD CONSTRAINT KR_entryKeyref_0_0_73_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_74_0']) --ALTER TABLE deduced_h_bond_experiment ADD CONSTRAINT KR_entryKeyref_0_0_74_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_75_0']) --ALTER TABLE deduced_h_bond_list ADD CONSTRAINT KR_entryKeyref_0_0_75_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_76_0']) --ALTER TABLE deduced_h_bond_software ADD CONSTRAINT KR_entryKeyref_0_0_76_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_77_0']) --ALTER TABLE deduced_secd_struct_experiment ADD CONSTRAINT KR_entryKeyref_0_0_77_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_78_0']) --ALTER TABLE deduced_secd_struct_exptl ADD CONSTRAINT KR_entryKeyref_0_0_78_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_79_0']) --ALTER TABLE deduced_secd_struct_feature ADD CONSTRAINT KR_entryKeyref_0_0_79_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_80_0']) --ALTER TABLE deduced_secd_struct_list ADD CONSTRAINT KR_entryKeyref_0_0_80_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_81_0']) --ALTER TABLE deduced_secd_struct_software ADD CONSTRAINT KR_entryKeyref_0_0_81_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_82_0']) --ALTER TABLE dipolar_coupling ADD CONSTRAINT KR_entryKeyref_0_0_82_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_83_0']) --ALTER TABLE dipolar_coupling_experiment ADD CONSTRAINT KR_entryKeyref_0_0_83_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_84_0']) --ALTER TABLE dipolar_coupling_list ADD CONSTRAINT KR_entryKeyref_0_0_84_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_85_0']) --ALTER TABLE dipolar_coupling_software ADD CONSTRAINT KR_entryKeyref_0_0_85_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_86_0']) --ALTER TABLE dipole_dipole_relax ADD CONSTRAINT KR_entryKeyref_0_0_86_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_87_0']) --ALTER TABLE dipole_dipole_relax_experiment ADD CONSTRAINT KR_entryKeyref_0_0_87_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_88_0']) --ALTER TABLE dipole_dipole_relax_list ADD CONSTRAINT KR_entryKeyref_0_0_88_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_89_0']) --ALTER TABLE dipole_dipole_relax_software ADD CONSTRAINT KR_entryKeyref_0_0_89_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_90_0']) --ALTER TABLE dist_constr_software_setting ADD CONSTRAINT KR_entryKeyref_0_0_90_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_91_0']) --ALTER TABLE dist_constraint ADD CONSTRAINT KR_entryKeyref_0_0_91_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_92_0']) --ALTER TABLE dist_constraint_comment_org ADD CONSTRAINT KR_entryKeyref_0_0_92_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_93_0']) --ALTER TABLE dist_constraint_conv_err ADD CONSTRAINT KR_entryKeyref_0_0_93_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_94_0']) --ALTER TABLE dist_constraint_parse_err ADD CONSTRAINT KR_entryKeyref_0_0_94_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_95_0']) --ALTER TABLE dist_constraint_parse_file ADD CONSTRAINT KR_entryKeyref_0_0_95_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_96_0']) --ALTER TABLE dist_constraint_tree ADD CONSTRAINT KR_entryKeyref_0_0_96_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_97_0']) --ALTER TABLE dist_constraint_value ADD CONSTRAINT KR_entryKeyref_0_0_97_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_98_0']) --ALTER TABLE distance_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_98_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_99_0']) --ALTER TABLE distance_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_99_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_100_0']) --ALTER TABLE distance_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_100_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_101_0']) --ALTER TABLE emr_instrument ADD CONSTRAINT KR_entryKeyref_0_0_101_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_102_0']) --ALTER TABLE energetic_penalty_function ADD CONSTRAINT KR_entryKeyref_0_0_102_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_103_0']) --ALTER TABLE entity ADD CONSTRAINT KR_entryKeyref_0_0_103_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_104_0']) --ALTER TABLE entity_experimental_src_list ADD CONSTRAINT KR_entryKeyref_0_0_104_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_105_0']) --ALTER TABLE entity_natural_src ADD CONSTRAINT KR_entryKeyref_0_0_105_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_106_0']) --ALTER TABLE entity_natural_src_list ADD CONSTRAINT KR_entryKeyref_0_0_106_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_107_0']) --ALTER TABLE entity_purity_list ADD CONSTRAINT KR_entryKeyref_0_0_107_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_108_0']) --ALTER TABLE entry_author ADD CONSTRAINT KR_entryKeyref_0_0_108_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_109_0']) --ALTER TABLE entry_experimental_methods ADD CONSTRAINT KR_entryKeyref_0_0_109_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_110_0']) --ALTER TABLE entry_src ADD CONSTRAINT KR_entryKeyref_0_0_110_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_111_0']) --ALTER TABLE experiment_list ADD CONSTRAINT KR_entryKeyref_0_0_111_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_112_0']) --ALTER TABLE floating_chirality ADD CONSTRAINT KR_entryKeyref_0_0_112_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_113_0']) --ALTER TABLE floating_chirality_assign ADD CONSTRAINT KR_entryKeyref_0_0_113_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_114_0']) --ALTER TABLE floating_chirality_software ADD CONSTRAINT KR_entryKeyref_0_0_114_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_115_0']) --ALTER TABLE fluorescence_instrument ADD CONSTRAINT KR_entryKeyref_0_0_115_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_116_0']) --ALTER TABLE force_constant ADD CONSTRAINT KR_entryKeyref_0_0_116_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_117_0']) --ALTER TABLE force_constant_list ADD CONSTRAINT KR_entryKeyref_0_0_117_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_118_0']) --ALTER TABLE force_constant_software ADD CONSTRAINT KR_entryKeyref_0_0_118_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_119_0']) --ALTER TABLE gen_dist_constraint ADD CONSTRAINT KR_entryKeyref_0_0_119_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_120_0']) --ALTER TABLE gen_dist_constraint_comment_org ADD CONSTRAINT KR_entryKeyref_0_0_120_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_121_0']) --ALTER TABLE gen_dist_constraint_conv_err ADD CONSTRAINT KR_entryKeyref_0_0_121_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_122_0']) --ALTER TABLE gen_dist_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_122_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_123_0']) --ALTER TABLE gen_dist_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_123_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_124_0']) --ALTER TABLE gen_dist_constraint_parse_err ADD CONSTRAINT KR_entryKeyref_0_0_124_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_125_0']) --ALTER TABLE gen_dist_constraint_parse_file ADD CONSTRAINT KR_entryKeyref_0_0_125_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_126_0']) --ALTER TABLE gen_dist_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_126_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_127_0']) --ALTER TABLE gen_dist_constraint_software_param ADD CONSTRAINT KR_entryKeyref_0_0_127_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_128_0']) --ALTER TABLE h_chem_shift_constraint ADD CONSTRAINT KR_entryKeyref_0_0_128_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_129_0']) --ALTER TABLE h_chem_shift_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_129_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_130_0']) --ALTER TABLE h_chem_shift_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_130_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_131_0']) --ALTER TABLE h_chem_shift_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_131_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_132_0']) --ALTER TABLE h_exch_protection_fact_experiment ADD CONSTRAINT KR_entryKeyref_0_0_132_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_133_0']) --ALTER TABLE h_exch_protection_fact_software ADD CONSTRAINT KR_entryKeyref_0_0_133_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_134_0']) --ALTER TABLE h_exch_protection_factor ADD CONSTRAINT KR_entryKeyref_0_0_134_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_135_0']) --ALTER TABLE h_exch_protection_factor_list ADD CONSTRAINT KR_entryKeyref_0_0_135_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_136_0']) --ALTER TABLE h_exch_rate ADD CONSTRAINT KR_entryKeyref_0_0_136_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_137_0']) --ALTER TABLE h_exch_rate_experiment ADD CONSTRAINT KR_entryKeyref_0_0_137_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_138_0']) --ALTER TABLE h_exch_rate_list ADD CONSTRAINT KR_entryKeyref_0_0_138_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_139_0']) --ALTER TABLE h_exch_rate_software ADD CONSTRAINT KR_entryKeyref_0_0_139_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_140_0']) --ALTER TABLE heteronucl_noe ADD CONSTRAINT KR_entryKeyref_0_0_140_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_141_0']) --ALTER TABLE heteronucl_noe_experiment ADD CONSTRAINT KR_entryKeyref_0_0_141_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_142_0']) --ALTER TABLE heteronucl_noe_list ADD CONSTRAINT KR_entryKeyref_0_0_142_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_143_0']) --ALTER TABLE heteronucl_noe_software ADD CONSTRAINT KR_entryKeyref_0_0_143_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_144_0']) --ALTER TABLE heteronucl_t1_experiment ADD CONSTRAINT KR_entryKeyref_0_0_144_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_145_0']) --ALTER TABLE heteronucl_t1_list ADD CONSTRAINT KR_entryKeyref_0_0_145_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_146_0']) --ALTER TABLE heteronucl_t1_software ADD CONSTRAINT KR_entryKeyref_0_0_146_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_147_0']) --ALTER TABLE heteronucl_t1rho_experiment ADD CONSTRAINT KR_entryKeyref_0_0_147_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_148_0']) --ALTER TABLE heteronucl_t1rho_list ADD CONSTRAINT KR_entryKeyref_0_0_148_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_149_0']) --ALTER TABLE heteronucl_t1rho_software ADD CONSTRAINT KR_entryKeyref_0_0_149_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_150_0']) --ALTER TABLE heteronucl_t2_experiment ADD CONSTRAINT KR_entryKeyref_0_0_150_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_151_0']) --ALTER TABLE heteronucl_t2_list ADD CONSTRAINT KR_entryKeyref_0_0_151_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_152_0']) --ALTER TABLE heteronucl_t2_software ADD CONSTRAINT KR_entryKeyref_0_0_152_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_153_0']) --ALTER TABLE history ADD CONSTRAINT KR_entryKeyref_0_0_153_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_154_0']) --ALTER TABLE homonucl_noe ADD CONSTRAINT KR_entryKeyref_0_0_154_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_155_0']) --ALTER TABLE homonucl_noe_experiment ADD CONSTRAINT KR_entryKeyref_0_0_155_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_156_0']) --ALTER TABLE homonucl_noe_list ADD CONSTRAINT KR_entryKeyref_0_0_156_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_157_0']) --ALTER TABLE homonucl_noe_software ADD CONSTRAINT KR_entryKeyref_0_0_157_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_158_0']) --ALTER TABLE interatomic_dist ADD CONSTRAINT KR_entryKeyref_0_0_158_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_159_0']) --ALTER TABLE interatomic_distance_list ADD CONSTRAINT KR_entryKeyref_0_0_159_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_160_0']) --ALTER TABLE j_three_bond_constraint ADD CONSTRAINT KR_entryKeyref_0_0_160_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_161_0']) --ALTER TABLE j_three_bond_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_161_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_162_0']) --ALTER TABLE j_three_bond_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_162_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_163_0']) --ALTER TABLE j_three_bond_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_163_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_164_0']) --ALTER TABLE karplus_equation ADD CONSTRAINT KR_entryKeyref_0_0_164_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_165_0']) --ALTER TABLE lacs_char ADD CONSTRAINT KR_entryKeyref_0_0_165_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_166_0']) --ALTER TABLE lacs_plot ADD CONSTRAINT KR_entryKeyref_0_0_166_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_167_0']) --ALTER TABLE local_structure_quality ADD CONSTRAINT KR_entryKeyref_0_0_167_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_168_0']) --ALTER TABLE mass_spec ADD CONSTRAINT KR_entryKeyref_0_0_168_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_169_0']) --ALTER TABLE mass_spec_ref_compd_set ADD CONSTRAINT KR_entryKeyref_0_0_169_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_170_0']) --ALTER TABLE mass_spectrometer_list ADD CONSTRAINT KR_entryKeyref_0_0_170_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_171_0']) --ALTER TABLE matched_entries ADD CONSTRAINT KR_entryKeyref_0_0_171_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_172_0']) --ALTER TABLE method ADD CONSTRAINT KR_entryKeyref_0_0_172_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_173_0']) --ALTER TABLE model_type ADD CONSTRAINT KR_entryKeyref_0_0_173_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_174_0']) --ALTER TABLE ms_chrom_ion_annotation ADD CONSTRAINT KR_entryKeyref_0_0_174_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_175_0']) --ALTER TABLE ms_chromatogram_experiment ADD CONSTRAINT KR_entryKeyref_0_0_175_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_176_0']) --ALTER TABLE ms_chromatogram_ion ADD CONSTRAINT KR_entryKeyref_0_0_176_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_177_0']) --ALTER TABLE ms_chromatogram_list ADD CONSTRAINT KR_entryKeyref_0_0_177_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_178_0']) --ALTER TABLE ms_chromatogram_param ADD CONSTRAINT KR_entryKeyref_0_0_178_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_179_0']) --ALTER TABLE ms_chromatogram_software ADD CONSTRAINT KR_entryKeyref_0_0_179_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_180_0']) --ALTER TABLE ms_expt ADD CONSTRAINT KR_entryKeyref_0_0_180_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_181_0']) --ALTER TABLE ms_expt_param ADD CONSTRAINT KR_entryKeyref_0_0_181_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_182_0']) --ALTER TABLE ms_expt_software ADD CONSTRAINT KR_entryKeyref_0_0_182_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_183_0']) --ALTER TABLE mz_precursor_ion ADD CONSTRAINT KR_entryKeyref_0_0_183_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_184_0']) --ALTER TABLE mz_precursor_ion_annotation ADD CONSTRAINT KR_entryKeyref_0_0_184_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_185_0']) --ALTER TABLE mz_product_ion ADD CONSTRAINT KR_entryKeyref_0_0_185_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_186_0']) --ALTER TABLE mz_product_ion_annotation ADD CONSTRAINT KR_entryKeyref_0_0_186_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_187_0']) --ALTER TABLE mz_ratio_data_list ADD CONSTRAINT KR_entryKeyref_0_0_187_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_188_0']) --ALTER TABLE mz_ratio_experiment ADD CONSTRAINT KR_entryKeyref_0_0_188_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_189_0']) --ALTER TABLE mz_ratio_software ADD CONSTRAINT KR_entryKeyref_0_0_189_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_190_0']) --ALTER TABLE mz_ratio_spectrum_param ADD CONSTRAINT KR_entryKeyref_0_0_190_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_191_0']) --ALTER TABLE nmr_spec_expt ADD CONSTRAINT KR_entryKeyref_0_0_191_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_192_0']) --ALTER TABLE nmr_spectral_processing ADD CONSTRAINT KR_entryKeyref_0_0_192_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_193_0']) --ALTER TABLE nmr_spectrometer ADD CONSTRAINT KR_entryKeyref_0_0_193_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_194_0']) --ALTER TABLE nmr_spectrometer_list ADD CONSTRAINT KR_entryKeyref_0_0_194_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_195_0']) --ALTER TABLE nmr_spectrometer_probe ADD CONSTRAINT KR_entryKeyref_0_0_195_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_196_0']) --ALTER TABLE observed_conformer ADD CONSTRAINT KR_entryKeyref_0_0_196_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_197_0']) --ALTER TABLE order_param ADD CONSTRAINT KR_entryKeyref_0_0_197_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_198_0']) --ALTER TABLE order_parameter_experiment ADD CONSTRAINT KR_entryKeyref_0_0_198_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_199_0']) --ALTER TABLE order_parameter_list ADD CONSTRAINT KR_entryKeyref_0_0_199_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_200_0']) --ALTER TABLE order_parameter_software ADD CONSTRAINT KR_entryKeyref_0_0_200_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_201_0']) --ALTER TABLE org_constr_file_comment ADD CONSTRAINT KR_entryKeyref_0_0_201_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_202_0']) --ALTER TABLE other_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_202_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_203_0']) --ALTER TABLE other_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_203_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_204_0']) --ALTER TABLE other_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_204_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_205_0']) --ALTER TABLE other_data ADD CONSTRAINT KR_entryKeyref_0_0_205_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_206_0']) --ALTER TABLE other_data_experiment ADD CONSTRAINT KR_entryKeyref_0_0_206_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_207_0']) --ALTER TABLE other_data_software ADD CONSTRAINT KR_entryKeyref_0_0_207_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_208_0']) --ALTER TABLE other_data_type_list ADD CONSTRAINT KR_entryKeyref_0_0_208_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_209_0']) --ALTER TABLE other_struct_feature ADD CONSTRAINT KR_entryKeyref_0_0_209_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_210_0']) --ALTER TABLE other_struct_feature_list ADD CONSTRAINT KR_entryKeyref_0_0_210_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_211_0']) --ALTER TABLE pb_char ADD CONSTRAINT KR_entryKeyref_0_0_211_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_212_0']) --ALTER TABLE pb_list ADD CONSTRAINT KR_entryKeyref_0_0_212_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_213_0']) --ALTER TABLE peak_constraint_link ADD CONSTRAINT KR_entryKeyref_0_0_213_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_214_0']) --ALTER TABLE peak_constraint_link_list ADD CONSTRAINT KR_entryKeyref_0_0_214_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_215_0']) --ALTER TABLE ph_param ADD CONSTRAINT KR_entryKeyref_0_0_215_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_216_0']) --ALTER TABLE ph_param_list ADD CONSTRAINT KR_entryKeyref_0_0_216_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_217_0']) --ALTER TABLE ph_titr_result ADD CONSTRAINT KR_entryKeyref_0_0_217_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_218_0']) --ALTER TABLE ph_titration_experiment ADD CONSTRAINT KR_entryKeyref_0_0_218_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_219_0']) --ALTER TABLE ph_titration_list ADD CONSTRAINT KR_entryKeyref_0_0_219_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_220_0']) --ALTER TABLE ph_titration_software ADD CONSTRAINT KR_entryKeyref_0_0_220_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_221_0']) --ALTER TABLE rdc ADD CONSTRAINT KR_entryKeyref_0_0_221_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_222_0']) --ALTER TABLE rdc_constraint ADD CONSTRAINT KR_entryKeyref_0_0_222_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_223_0']) --ALTER TABLE rdc_constraint_comment_org ADD CONSTRAINT KR_entryKeyref_0_0_223_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_224_0']) --ALTER TABLE rdc_constraint_conv_err ADD CONSTRAINT KR_entryKeyref_0_0_224_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_225_0']) --ALTER TABLE rdc_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_225_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_226_0']) --ALTER TABLE rdc_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_226_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_227_0']) --ALTER TABLE rdc_constraint_parse_err ADD CONSTRAINT KR_entryKeyref_0_0_227_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_228_0']) --ALTER TABLE rdc_constraint_parse_file ADD CONSTRAINT KR_entryKeyref_0_0_228_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_229_0']) --ALTER TABLE rdc_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_229_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_230_0']) --ALTER TABLE rdc_experiment ADD CONSTRAINT KR_entryKeyref_0_0_230_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_231_0']) --ALTER TABLE rdc_list ADD CONSTRAINT KR_entryKeyref_0_0_231_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_232_0']) --ALTER TABLE rdc_software ADD CONSTRAINT KR_entryKeyref_0_0_232_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_233_0']) --ALTER TABLE related_entries ADD CONSTRAINT KR_entryKeyref_0_0_233_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_234_0']) --ALTER TABLE release ADD CONSTRAINT KR_entryKeyref_0_0_234_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_235_0']) --ALTER TABLE rep_conf ADD CONSTRAINT KR_entryKeyref_0_0_235_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_236_0']) --ALTER TABLE rep_conf_refinement ADD CONSTRAINT KR_entryKeyref_0_0_236_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_237_0']) --ALTER TABLE rep_conf_software ADD CONSTRAINT KR_entryKeyref_0_0_237_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_238_0']) --ALTER TABLE rep_coordinate_details ADD CONSTRAINT KR_entryKeyref_0_0_238_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_239_0']) --ALTER TABLE representative_conformer ADD CONSTRAINT KR_entryKeyref_0_0_239_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_240_0']) --ALTER TABLE resonance_assignment ADD CONSTRAINT KR_entryKeyref_0_0_240_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_241_0']) --ALTER TABLE resonance_linker_list ADD CONSTRAINT KR_entryKeyref_0_0_241_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_242_0']) --ALTER TABLE sample ADD CONSTRAINT KR_entryKeyref_0_0_242_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_243_0']) --ALTER TABLE sample_condition_list ADD CONSTRAINT KR_entryKeyref_0_0_243_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_244_0']) --ALTER TABLE saxs_constraint ADD CONSTRAINT KR_entryKeyref_0_0_244_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_245_0']) --ALTER TABLE saxs_constraint_expt ADD CONSTRAINT KR_entryKeyref_0_0_245_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_246_0']) --ALTER TABLE saxs_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_246_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_247_0']) --ALTER TABLE saxs_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_247_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_248_0']) --ALTER TABLE secondary_struct ADD CONSTRAINT KR_entryKeyref_0_0_248_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_249_0']) --ALTER TABLE secondary_struct_list ADD CONSTRAINT KR_entryKeyref_0_0_249_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_250_0']) --ALTER TABLE secondary_struct_sel ADD CONSTRAINT KR_entryKeyref_0_0_250_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_251_0']) --ALTER TABLE sg_project ADD CONSTRAINT KR_entryKeyref_0_0_251_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_252_0']) --ALTER TABLE software ADD CONSTRAINT KR_entryKeyref_0_0_252_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_253_0']) --ALTER TABLE software_applied_history ADD CONSTRAINT KR_entryKeyref_0_0_253_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_254_0']) --ALTER TABLE software_applied_list ADD CONSTRAINT KR_entryKeyref_0_0_254_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_255_0']) --ALTER TABLE software_applied_methods ADD CONSTRAINT KR_entryKeyref_0_0_255_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_256_0']) --ALTER TABLE software_specific_info ADD CONSTRAINT KR_entryKeyref_0_0_256_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_257_0']) --ALTER TABLE software_specific_info_list ADD CONSTRAINT KR_entryKeyref_0_0_257_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_258_0']) --ALTER TABLE spectral_density ADD CONSTRAINT KR_entryKeyref_0_0_258_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_259_0']) --ALTER TABLE spectral_density_experiment ADD CONSTRAINT KR_entryKeyref_0_0_259_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_260_0']) --ALTER TABLE spectral_density_list ADD CONSTRAINT KR_entryKeyref_0_0_260_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_261_0']) --ALTER TABLE spectral_density_software ADD CONSTRAINT KR_entryKeyref_0_0_261_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_262_0']) --ALTER TABLE spectral_peak_list ADD CONSTRAINT KR_entryKeyref_0_0_262_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_263_0']) --ALTER TABLE struct_anno_char ADD CONSTRAINT KR_entryKeyref_0_0_263_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_264_0']) --ALTER TABLE struct_anno_software ADD CONSTRAINT KR_entryKeyref_0_0_264_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_265_0']) --ALTER TABLE struct_classification ADD CONSTRAINT KR_entryKeyref_0_0_265_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_266_0']) --ALTER TABLE struct_image ADD CONSTRAINT KR_entryKeyref_0_0_266_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_267_0']) --ALTER TABLE struct_keywords ADD CONSTRAINT KR_entryKeyref_0_0_267_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_268_0']) --ALTER TABLE structure_annotation ADD CONSTRAINT KR_entryKeyref_0_0_268_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_269_0']) --ALTER TABLE structure_interaction ADD CONSTRAINT KR_entryKeyref_0_0_269_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_270_0']) --ALTER TABLE structure_interaction_list ADD CONSTRAINT KR_entryKeyref_0_0_270_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_271_0']) --ALTER TABLE study_list ADD CONSTRAINT KR_entryKeyref_0_0_271_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_272_0']) --ALTER TABLE t1 ADD CONSTRAINT KR_entryKeyref_0_0_272_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_273_0']) --ALTER TABLE t1rho ADD CONSTRAINT KR_entryKeyref_0_0_273_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_274_0']) --ALTER TABLE t2 ADD CONSTRAINT KR_entryKeyref_0_0_274_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_275_0']) --ALTER TABLE ta_constraint_comment_org ADD CONSTRAINT KR_entryKeyref_0_0_275_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_276_0']) --ALTER TABLE ta_constraint_conv_err ADD CONSTRAINT KR_entryKeyref_0_0_276_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_277_0']) --ALTER TABLE ta_constraint_parse_err ADD CONSTRAINT KR_entryKeyref_0_0_277_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_278_0']) --ALTER TABLE ta_constraint_parse_file ADD CONSTRAINT KR_entryKeyref_0_0_278_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_279_0']) --ALTER TABLE tensor_list ADD CONSTRAINT KR_entryKeyref_0_0_279_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_280_0']) --ALTER TABLE terminal_residue ADD CONSTRAINT KR_entryKeyref_0_0_280_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_281_0']) --ALTER TABLE tertiary_struct ADD CONSTRAINT KR_entryKeyref_0_0_281_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_282_0']) --ALTER TABLE tertiary_struct_element_list ADD CONSTRAINT KR_entryKeyref_0_0_282_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_283_0']) --ALTER TABLE tertiary_struct_element_sel ADD CONSTRAINT KR_entryKeyref_0_0_283_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_284_0']) --ALTER TABLE theoretical_auto_relaxation ADD CONSTRAINT KR_entryKeyref_0_0_284_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_285_0']) --ALTER TABLE theoretical_auto_relaxation_experiment ADD CONSTRAINT KR_entryKeyref_0_0_285_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_286_0']) --ALTER TABLE theoretical_auto_relaxation_list ADD CONSTRAINT KR_entryKeyref_0_0_286_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_287_0']) --ALTER TABLE theoretical_auto_relaxation_software ADD CONSTRAINT KR_entryKeyref_0_0_287_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_288_0']) --ALTER TABLE theoretical_chem_shift ADD CONSTRAINT KR_entryKeyref_0_0_288_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_289_0']) --ALTER TABLE theoretical_chem_shift_list ADD CONSTRAINT KR_entryKeyref_0_0_289_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_290_0']) --ALTER TABLE theoretical_coupling_constant_list ADD CONSTRAINT KR_entryKeyref_0_0_290_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_291_0']) --ALTER TABLE theoretical_cross_correlation_dd ADD CONSTRAINT KR_entryKeyref_0_0_291_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_292_0']) --ALTER TABLE theoretical_cross_correlation_dd_experiment ADD CONSTRAINT KR_entryKeyref_0_0_292_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_293_0']) --ALTER TABLE theoretical_cross_correlation_dd_list ADD CONSTRAINT KR_entryKeyref_0_0_293_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_294_0']) --ALTER TABLE theoretical_cross_correlation_dd_software ADD CONSTRAINT KR_entryKeyref_0_0_294_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_295_0']) --ALTER TABLE theoretical_heteronucl_noe ADD CONSTRAINT KR_entryKeyref_0_0_295_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_296_0']) --ALTER TABLE theoretical_heteronucl_noe_experiment ADD CONSTRAINT KR_entryKeyref_0_0_296_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_297_0']) --ALTER TABLE theoretical_heteronucl_noe_list ADD CONSTRAINT KR_entryKeyref_0_0_297_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_298_0']) --ALTER TABLE theoretical_heteronucl_noe_software ADD CONSTRAINT KR_entryKeyref_0_0_298_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_299_0']) --ALTER TABLE theoretical_heteronucl_t1_experiment ADD CONSTRAINT KR_entryKeyref_0_0_299_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_300_0']) --ALTER TABLE theoretical_heteronucl_t1_list ADD CONSTRAINT KR_entryKeyref_0_0_300_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_301_0']) --ALTER TABLE theoretical_heteronucl_t1_software ADD CONSTRAINT KR_entryKeyref_0_0_301_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_302_0']) --ALTER TABLE theoretical_heteronucl_t2_experiment ADD CONSTRAINT KR_entryKeyref_0_0_302_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_303_0']) --ALTER TABLE theoretical_heteronucl_t2_list ADD CONSTRAINT KR_entryKeyref_0_0_303_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_304_0']) --ALTER TABLE theoretical_heteronucl_t2_software ADD CONSTRAINT KR_entryKeyref_0_0_304_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_305_0']) --ALTER TABLE theoretical_t1 ADD CONSTRAINT KR_entryKeyref_0_0_305_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_306_0']) --ALTER TABLE theoretical_t2 ADD CONSTRAINT KR_entryKeyref_0_0_306_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_307_0']) --ALTER TABLE torsion_angle_constraint ADD CONSTRAINT KR_entryKeyref_0_0_307_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_308_0']) --ALTER TABLE torsion_angle_constraint_list ADD CONSTRAINT KR_entryKeyref_0_0_308_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_309_0']) --ALTER TABLE torsion_angle_constraint_software ADD CONSTRAINT KR_entryKeyref_0_0_309_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_310_0']) --ALTER TABLE torsion_angle_constraints_expt ADD CONSTRAINT KR_entryKeyref_0_0_310_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED; -- (derived from xsd:keyref[@name='entryKeyref_0_0_311_0']) --ALTER TABLE xray_instrument ADD CONSTRAINT KR_entryKeyref_0_0_311_0 FOREIGN KEY ( entry_id ) REFERENCES entry ( id ) ON DELETE CASCADE NOT VALID DEFERRABLE INITIALLY DEFERRED;