diff --git a/data/mmcif-popular-field-names.csv b/data/mmcif-popular-field-names.csv index 3a966d7c8af78890425f9cb2b23f806485744b8b..e8f7c91e1052680d7aefbe616db8ea920763a278 100644 --- a/data/mmcif-popular-field-names.csv +++ b/data/mmcif-popular-field-names.csv @@ -151,6 +151,50 @@ symmetry.cell_setting symmetry.Int_Tables_number symmetry.space_group_name_Hall +pdbx_molecule.instance_id +pdbx_molecule.prd_id +pdbx_molecule.asym_id + +pdbx_molecule_features.prd_id +pdbx_molecule_features.name +pdbx_molecule_features.type +pdbx_molecule_features.class +pdbx_molecule_features.details + +pdbx_reference_entity_link.prd_id +pdbx_reference_entity_link.link_id +pdbx_reference_entity_link.link_class +pdbx_reference_entity_link.ref_entity_id_1 +pdbx_reference_entity_link.entity_seq_num_1 +pdbx_reference_entity_link.comp_id_1 +pdbx_reference_entity_link.atom_id_1 +pdbx_reference_entity_link.ref_entity_id_2 +pdbx_reference_entity_link.entity_seq_num_2 +pdbx_reference_entity_link.comp_id_2 +pdbx_reference_entity_link.atom_id_2 +pdbx_reference_entity_link.value_order +pdbx_reference_entity_link.component_1 +pdbx_reference_entity_link.component_2 +pdbx_reference_entity_link.details + +pdbx_reference_entity_list.prd_id +pdbx_reference_entity_list.ref_entity_id +pdbx_reference_entity_list.component_id +pdbx_reference_entity_list.type +pdbx_reference_entity_list.details + +pdbx_reference_entity_poly_link.prd_id +pdbx_reference_entity_poly_link.ref_entity_id +pdbx_reference_entity_poly_link.link_id +pdbx_reference_entity_poly_link.atom_id_1 +pdbx_reference_entity_poly_link.comp_id_1 +pdbx_reference_entity_poly_link.entity_seq_num_1 +pdbx_reference_entity_poly_link.atom_id_2 +pdbx_reference_entity_poly_link.comp_id_2 +pdbx_reference_entity_poly_link.entity_seq_num_2 +pdbx_reference_entity_poly_link.value_order +pdbx_reference_entity_poly_link.component_id + pdbx_struct_assembly.id pdbx_struct_assembly.details pdbx_struct_assembly.method_details diff --git a/src/mol-io/reader/cif/schema/mmcif.ts b/src/mol-io/reader/cif/schema/mmcif.ts index ebabd842d51b2b2c40ef276a3010d60f7e7d6490..e69111785b00f8e471c08946ccf32055f5146fa6 100644 --- a/src/mol-io/reader/cif/schema/mmcif.ts +++ b/src/mol-io/reader/cif/schema/mmcif.ts @@ -219,6 +219,55 @@ export const mmCIF_Schema = { assembly_id: str, oper_expression: str, }, + pdbx_reference_entity_list: { + prd_id: str, + ref_entity_id: str, + type: str, + details: str, + component_id: int, + }, + pdbx_reference_entity_link: { + link_id: int, + prd_id: str, + details: str, + ref_entity_id_1: str, + ref_entity_id_2: str, + entity_seq_num_1: int, + entity_seq_num_2: int, + comp_id_1: str, + comp_id_2: str, + atom_id_1: str, + atom_id_2: str, + value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad' | 'arom' | 'poly' | 'delo' | 'pi'>(str), + component_1: int, + component_2: int, + link_class: Aliased<'PP' | 'PN' | 'NP' | 'NN'>(str), + }, + pdbx_reference_entity_poly_link: { + link_id: int, + prd_id: str, + ref_entity_id: str, + component_id: int, + entity_seq_num_1: int, + entity_seq_num_2: int, + comp_id_1: str, + comp_id_2: str, + atom_id_1: str, + atom_id_2: str, + value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad' | 'arom' | 'poly' | 'delo' | 'pi'>(str), + }, + pdbx_molecule: { + prd_id: str, + instance_id: int, + asym_id: str, + }, + pdbx_molecule_features: { + prd_id: str, + class: Aliased<'Antagonist' | 'Antibiotic' | 'Anticancer' | 'Anticoagulant' | 'Antifungal' | 'Antiinflammatory' | 'Antimicrobial' | 'Antineoplastic' | 'Antiparasitic' | 'Antiretroviral' | 'Anthelmintic' | 'Antithrombotic' | 'Antitumor' | 'Antiviral' | 'CASPASE inhibitor' | 'Chaperone binding' | 'Enzyme inhibitor' | 'Growth factor' | 'Immunosuppressant' | 'Inhibitor' | 'Lantibiotic' | 'Metabolism' | 'Metal transport' | 'Oxidation-reduction' | 'Receptor' | 'Thrombin inhibitor' | 'Trypsin inhibitor' | 'Toxin' | 'Transport activator' | 'Unknown' | 'Anticoagulant, Antithrombotic' | 'Antibiotic, Antimicrobial' | 'Antibiotic, Anthelmintic' | 'Antibiotic, Antineoplastic' | 'Antimicrobial, Antiretroviral' | 'Antimicrobial, Antitumor' | 'Antimicrobial, Antiparasitic, Antibiotic' | 'Thrombin inhibitor, Trypsin inhibitor'>(str), + type: Aliased<'Amino acid' | 'Aminoglycoside' | 'Anthracycline' | 'Anthraquinone' | 'Ansamycin' | 'Chalkophore' | 'Chromophore' | 'Glycopeptide' | 'Cyclic depsipeptide' | 'Cyclic lipopeptide' | 'Cyclic peptide' | 'Heterocyclic' | 'Imino sugar' | 'Keto acid' | 'Lipoglycopeptide' | 'Lipopeptide' | 'Macrolide' | 'Non-polymer' | 'Nucleoside' | 'Oligopeptide' | 'Oligosaccharide' | 'Peptaibol' | 'Peptide-like' | 'Polycyclic' | 'Polypeptide' | 'Polysaccharide' | 'Quinolone' | 'Thiolactone' | 'Thiopeptide' | 'Siderophore' | 'Unknown' | 'Chalkophore, Polypeptide'>(str), + name: str, + details: str, + }, } export type mmCIF_Schema = typeof mmCIF_Schema;