mmcif.ts 25 KB

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  1. /**
  2. * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
  3. *
  4. * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.293, IHM 0.130.
  5. *
  6. * @author mol-star package (src/apps/schema-generator/generate)
  7. */
  8. import { Database, Column } from 'mol-data/db'
  9. import Schema = Column.Schema
  10. const str = Schema.str;
  11. const int = Schema.int;
  12. const float = Schema.float;
  13. const coord = Schema.coord;
  14. const Aliased = Schema.Aliased;
  15. const Matrix = Schema.Matrix;
  16. const Vector = Schema.Vector;
  17. const List = Schema.List;
  18. export const mmCIF_Schema = {
  19. atom_site: {
  20. auth_asym_id: str,
  21. auth_atom_id: str,
  22. auth_comp_id: str,
  23. auth_seq_id: int,
  24. B_iso_or_equiv: float,
  25. Cartn_x: coord,
  26. Cartn_y: coord,
  27. Cartn_z: coord,
  28. group_PDB: Aliased<'ATOM' | 'HETATM'>(str),
  29. id: int,
  30. label_alt_id: str,
  31. label_asym_id: str,
  32. label_atom_id: str,
  33. label_comp_id: str,
  34. label_entity_id: str,
  35. label_seq_id: int,
  36. occupancy: float,
  37. type_symbol: str,
  38. pdbx_PDB_ins_code: str,
  39. pdbx_PDB_model_num: int,
  40. pdbx_formal_charge: int,
  41. ihm_model_id: int,
  42. },
  43. atom_sites: {
  44. entry_id: str,
  45. fract_transf_matrix: Matrix(3, 3),
  46. fract_transf_vector: Vector(3),
  47. },
  48. cell: {
  49. angle_alpha: float,
  50. angle_beta: float,
  51. angle_gamma: float,
  52. entry_id: str,
  53. length_a: float,
  54. length_b: float,
  55. length_c: float,
  56. Z_PDB: int,
  57. pdbx_unique_axis: str,
  58. },
  59. chem_comp: {
  60. formula: str,
  61. formula_weight: float,
  62. id: str,
  63. mon_nstd_flag: Aliased<'no' | 'n' | 'yes' | 'y'>(str),
  64. name: str,
  65. type: Aliased<'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'>(str),
  66. pdbx_synonyms: List(';', x => x),
  67. },
  68. chem_comp_bond: {
  69. atom_id_1: str,
  70. atom_id_2: str,
  71. comp_id: str,
  72. value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad' | 'arom' | 'poly' | 'delo' | 'pi'>(str),
  73. pdbx_ordinal: int,
  74. pdbx_stereo_config: Aliased<'E' | 'Z' | 'N'>(str),
  75. pdbx_aromatic_flag: Aliased<'Y' | 'N'>(str),
  76. },
  77. entity: {
  78. id: str,
  79. type: Aliased<'polymer' | 'non-polymer' | 'macrolide' | 'water'>(str),
  80. src_method: Aliased<'nat' | 'man' | 'syn'>(str),
  81. formula_weight: float,
  82. pdbx_description: str,
  83. pdbx_number_of_molecules: float,
  84. pdbx_mutation: str,
  85. pdbx_fragment: str,
  86. pdbx_ec: List(',', x => x),
  87. details: str,
  88. },
  89. entity_poly: {
  90. entity_id: str,
  91. type: str,
  92. nstd_linkage: Aliased<'no' | 'n' | 'yes' | 'y'>(str),
  93. nstd_monomer: Aliased<'no' | 'n' | 'yes' | 'y'>(str),
  94. pdbx_seq_one_letter_code: str,
  95. pdbx_seq_one_letter_code_can: str,
  96. pdbx_strand_id: str,
  97. pdbx_target_identifier: str,
  98. },
  99. entity_poly_seq: {
  100. entity_id: str,
  101. hetero: Aliased<'no' | 'n' | 'yes' | 'y'>(str),
  102. mon_id: str,
  103. num: int,
  104. },
  105. entry: {
  106. id: str,
  107. },
  108. exptl: {
  109. entry_id: str,
  110. method: Aliased<'X-RAY DIFFRACTION' | 'NEUTRON DIFFRACTION' | 'FIBER DIFFRACTION' | 'ELECTRON CRYSTALLOGRAPHY' | 'ELECTRON MICROSCOPY' | 'SOLUTION NMR' | 'SOLID-STATE NMR' | 'SOLUTION SCATTERING' | 'POWDER DIFFRACTION' | 'INFRARED SPECTROSCOPY' | 'EPR' | 'FLUORESCENCE TRANSFER' | 'THEORETICAL MODEL'>(str),
  111. },
  112. struct: {
  113. entry_id: str,
  114. title: str,
  115. },
  116. struct_asym: {
  117. id: str,
  118. entity_id: str,
  119. pdbx_modified: str,
  120. pdbx_blank_PDB_chainid_flag: Aliased<'Y' | 'N'>(str),
  121. details: str,
  122. },
  123. struct_conf: {
  124. beg_label_asym_id: str,
  125. beg_label_comp_id: str,
  126. beg_label_seq_id: int,
  127. beg_auth_asym_id: str,
  128. beg_auth_comp_id: str,
  129. beg_auth_seq_id: int,
  130. conf_type_id: Aliased<'HELX_P' | 'HELX_OT_P' | 'HELX_RH_P' | 'HELX_RH_OT_P' | 'HELX_RH_AL_P' | 'HELX_RH_GA_P' | 'HELX_RH_OM_P' | 'HELX_RH_PI_P' | 'HELX_RH_27_P' | 'HELX_RH_3T_P' | 'HELX_RH_PP_P' | 'HELX_LH_P' | 'HELX_LH_OT_P' | 'HELX_LH_AL_P' | 'HELX_LH_GA_P' | 'HELX_LH_OM_P' | 'HELX_LH_PI_P' | 'HELX_LH_27_P' | 'HELX_LH_3T_P' | 'HELX_LH_PP_P' | 'HELX_N' | 'HELX_OT_N' | 'HELX_RH_N' | 'HELX_RH_OT_N' | 'HELX_RH_A_N' | 'HELX_RH_B_N' | 'HELX_RH_Z_N' | 'HELX_LH_N' | 'HELX_LH_OT_N' | 'HELX_LH_A_N' | 'HELX_LH_B_N' | 'HELX_LH_Z_N' | 'TURN_P' | 'TURN_OT_P' | 'TURN_TY1_P' | 'TURN_TY1P_P' | 'TURN_TY2_P' | 'TURN_TY2P_P' | 'TURN_TY3_P' | 'TURN_TY3P_P' | 'STRN'>(str),
  131. details: str,
  132. end_label_asym_id: str,
  133. end_label_comp_id: str,
  134. end_label_seq_id: int,
  135. end_auth_asym_id: str,
  136. end_auth_comp_id: str,
  137. end_auth_seq_id: int,
  138. id: str,
  139. pdbx_beg_PDB_ins_code: str,
  140. pdbx_end_PDB_ins_code: str,
  141. pdbx_PDB_helix_class: str,
  142. pdbx_PDB_helix_length: int,
  143. pdbx_PDB_helix_id: str,
  144. },
  145. struct_conn: {
  146. conn_type_id: Aliased<'covale' | 'disulf' | 'hydrog' | 'metalc' | 'mismat' | 'saltbr' | 'modres' | 'covale_base' | 'covale_sugar' | 'covale_phosphate'>(str),
  147. details: str,
  148. id: str,
  149. ptnr1_label_asym_id: str,
  150. ptnr1_label_atom_id: str,
  151. ptnr1_label_comp_id: str,
  152. ptnr1_label_seq_id: int,
  153. ptnr1_auth_asym_id: str,
  154. ptnr1_auth_comp_id: str,
  155. ptnr1_auth_seq_id: int,
  156. ptnr1_symmetry: str,
  157. ptnr2_label_asym_id: str,
  158. ptnr2_label_atom_id: str,
  159. ptnr2_label_comp_id: str,
  160. ptnr2_label_seq_id: int,
  161. ptnr2_auth_asym_id: str,
  162. ptnr2_auth_comp_id: str,
  163. ptnr2_auth_seq_id: int,
  164. ptnr2_symmetry: str,
  165. pdbx_ptnr1_PDB_ins_code: str,
  166. pdbx_ptnr1_label_alt_id: str,
  167. pdbx_ptnr1_standard_comp_id: str,
  168. pdbx_ptnr2_PDB_ins_code: str,
  169. pdbx_ptnr2_label_alt_id: str,
  170. pdbx_ptnr3_PDB_ins_code: str,
  171. pdbx_ptnr3_label_alt_id: str,
  172. pdbx_ptnr3_label_asym_id: str,
  173. pdbx_ptnr3_label_atom_id: str,
  174. pdbx_ptnr3_label_comp_id: str,
  175. pdbx_ptnr3_label_seq_id: int,
  176. pdbx_PDB_id: str,
  177. pdbx_dist_value: float,
  178. pdbx_value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad'>(str),
  179. },
  180. struct_conn_type: {
  181. criteria: str,
  182. id: Aliased<'covale' | 'disulf' | 'hydrog' | 'metalc' | 'mismat' | 'saltbr' | 'modres' | 'covale_base' | 'covale_sugar' | 'covale_phosphate'>(str),
  183. reference: str,
  184. },
  185. struct_keywords: {
  186. entry_id: str,
  187. text: List(',', x => x),
  188. pdbx_keywords: str,
  189. },
  190. struct_ncs_oper: {
  191. code: Aliased<'given' | 'generate'>(str),
  192. details: str,
  193. id: str,
  194. matrix: Matrix(3, 3),
  195. vector: Vector(3),
  196. },
  197. struct_sheet_range: {
  198. beg_label_asym_id: str,
  199. beg_label_comp_id: str,
  200. beg_label_seq_id: int,
  201. end_label_asym_id: str,
  202. end_label_comp_id: str,
  203. end_label_seq_id: int,
  204. beg_auth_asym_id: str,
  205. beg_auth_comp_id: str,
  206. beg_auth_seq_id: int,
  207. end_auth_asym_id: str,
  208. end_auth_comp_id: str,
  209. end_auth_seq_id: int,
  210. id: str,
  211. sheet_id: str,
  212. pdbx_beg_PDB_ins_code: str,
  213. pdbx_end_PDB_ins_code: str,
  214. },
  215. struct_site: {
  216. details: str,
  217. id: str,
  218. pdbx_num_residues: int,
  219. pdbx_evidence_code: str,
  220. pdbx_auth_asym_id: str,
  221. pdbx_auth_comp_id: str,
  222. pdbx_auth_seq_id: str,
  223. pdbx_auth_ins_code: str,
  224. },
  225. struct_site_gen: {
  226. details: str,
  227. id: str,
  228. label_alt_id: str,
  229. label_asym_id: str,
  230. label_atom_id: str,
  231. label_comp_id: str,
  232. label_seq_id: int,
  233. auth_asym_id: str,
  234. auth_comp_id: str,
  235. auth_seq_id: str,
  236. site_id: str,
  237. symmetry: str,
  238. pdbx_auth_ins_code: str,
  239. pdbx_num_res: int,
  240. },
  241. symmetry: {
  242. entry_id: str,
  243. cell_setting: Aliased<'triclinic' | 'monoclinic' | 'orthorhombic' | 'tetragonal' | 'rhombohedral' | 'trigonal' | 'hexagonal' | 'cubic'>(str),
  244. Int_Tables_number: int,
  245. space_group_name_Hall: str,
  246. 'space_group_name_H-M': str,
  247. },
  248. pdbx_struct_assembly: {
  249. method_details: str,
  250. oligomeric_details: str,
  251. oligomeric_count: int,
  252. details: str,
  253. id: str,
  254. },
  255. pdbx_struct_mod_residue: {
  256. id: int,
  257. auth_asym_id: str,
  258. auth_comp_id: str,
  259. auth_seq_id: int,
  260. PDB_ins_code: str,
  261. label_asym_id: str,
  262. label_comp_id: str,
  263. label_seq_id: int,
  264. parent_comp_id: str,
  265. details: str,
  266. },
  267. pdbx_struct_oper_list: {
  268. id: str,
  269. type: Aliased<'identity operation' | 'point symmetry operation' | 'helical symmetry operation' | 'crystal symmetry operation' | '3D crystal symmetry operation' | '2D crystal symmetry operation' | 'transform to point frame' | 'transform to helical frame' | 'transform to crystal frame' | 'transform to 2D crystal frame' | 'transform to 3D crystal frame' | 'build point asymmetric unit' | 'build helical asymmetric unit' | 'build 2D crystal asymmetric unit' | 'build 3D crystal asymmetric unit'>(str),
  270. name: str,
  271. symmetry_operation: str,
  272. matrix: Matrix(3, 3),
  273. vector: Vector(3),
  274. },
  275. pdbx_struct_assembly_gen: {
  276. asym_id_list: List(',', x => x),
  277. assembly_id: str,
  278. oper_expression: str,
  279. },
  280. pdbx_reference_entity_list: {
  281. prd_id: str,
  282. ref_entity_id: str,
  283. type: str,
  284. details: str,
  285. component_id: int,
  286. },
  287. pdbx_reference_entity_link: {
  288. link_id: int,
  289. prd_id: str,
  290. details: str,
  291. ref_entity_id_1: str,
  292. ref_entity_id_2: str,
  293. entity_seq_num_1: int,
  294. entity_seq_num_2: int,
  295. comp_id_1: str,
  296. comp_id_2: str,
  297. atom_id_1: str,
  298. atom_id_2: str,
  299. value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad' | 'arom' | 'poly' | 'delo' | 'pi'>(str),
  300. component_1: int,
  301. component_2: int,
  302. link_class: Aliased<'PP' | 'PN' | 'NP' | 'NN'>(str),
  303. },
  304. pdbx_reference_entity_poly_link: {
  305. link_id: int,
  306. prd_id: str,
  307. ref_entity_id: str,
  308. component_id: int,
  309. entity_seq_num_1: int,
  310. entity_seq_num_2: int,
  311. comp_id_1: str,
  312. comp_id_2: str,
  313. atom_id_1: str,
  314. atom_id_2: str,
  315. value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad' | 'arom' | 'poly' | 'delo' | 'pi'>(str),
  316. },
  317. pdbx_molecule: {
  318. prd_id: str,
  319. instance_id: int,
  320. asym_id: str,
  321. },
  322. pdbx_molecule_features: {
  323. prd_id: str,
  324. 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),
  325. 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),
  326. name: str,
  327. details: str,
  328. },
  329. ihm_starting_model_details: {
  330. starting_model_id: str,
  331. entity_id: str,
  332. entity_description: str,
  333. asym_id: str,
  334. seq_id_begin: int,
  335. seq_id_end: int,
  336. starting_model_source: Aliased<'comparative model' | 'experimental model' | 'integrative model' | 'other ab initio models'>(str),
  337. starting_model_auth_asym_id: str,
  338. starting_model_sequence_offset: int,
  339. dataset_list_id: int,
  340. },
  341. ihm_starting_comparative_models: {
  342. ordinal_id: int,
  343. starting_model_id: str,
  344. starting_model_auth_asym_id: str,
  345. starting_model_seq_id_begin: int,
  346. starting_model_seq_id_end: int,
  347. template_auth_asym_id: str,
  348. template_seq_id_begin: int,
  349. template_seq_id_end: int,
  350. template_sequence_identity: float,
  351. template_sequence_identity_denominator: Aliased<'1' | '2' | '3' | '4' | '5'>(int),
  352. template_dataset_list_id: int,
  353. alignment_file_id: int,
  354. },
  355. ihm_starting_model_seq_dif: {
  356. ordinal_id: int,
  357. entity_id: str,
  358. asym_id: str,
  359. seq_id: int,
  360. comp_id: str,
  361. starting_model_id: str,
  362. db_asym_id: str,
  363. db_seq_id: int,
  364. db_comp_id: str,
  365. details: str,
  366. },
  367. ihm_model_representation: {
  368. ordinal_id: int,
  369. representation_id: int,
  370. segment_id: int,
  371. entity_id: str,
  372. entity_description: str,
  373. entity_asym_id: str,
  374. seq_id_begin: int,
  375. seq_id_end: int,
  376. model_object_primitive: Aliased<'atomistic' | 'sphere' | 'gaussian' | 'other'>(str),
  377. starting_model_id: str,
  378. model_mode: Aliased<'rigid' | 'flexible'>(str),
  379. model_granularity: Aliased<'by-atom' | 'by-residue' | 'multi-residue' | 'by-feature'>(str),
  380. model_object_count: int,
  381. },
  382. ihm_struct_assembly: {
  383. ordinal_id: int,
  384. assembly_id: int,
  385. parent_assembly_id: int,
  386. entity_description: str,
  387. entity_id: str,
  388. asym_id: str,
  389. seq_id_begin: int,
  390. seq_id_end: int,
  391. },
  392. ihm_struct_assembly_details: {
  393. assembly_id: int,
  394. assembly_name: str,
  395. assembly_description: str,
  396. },
  397. ihm_modeling_protocol: {
  398. ordinal_id: int,
  399. protocol_id: int,
  400. step_id: int,
  401. struct_assembly_id: int,
  402. dataset_group_id: int,
  403. struct_assembly_description: str,
  404. protocol_name: str,
  405. step_name: str,
  406. step_method: str,
  407. num_models_begin: int,
  408. num_models_end: int,
  409. multi_scale_flag: Aliased<'YES' | 'NO'>(str),
  410. multi_state_flag: Aliased<'YES' | 'NO'>(str),
  411. ordered_flag: Aliased<'YES' | 'NO'>(str),
  412. },
  413. ihm_multi_state_modeling: {
  414. ordinal_id: int,
  415. state_id: int,
  416. state_group_id: int,
  417. population_fraction: float,
  418. state_type: str,
  419. state_name: str,
  420. model_group_id: int,
  421. experiment_type: Aliased<'Fraction of bulk' | 'Single molecule'>(str),
  422. details: str,
  423. },
  424. ihm_modeling_post_process: {
  425. id: int,
  426. protocol_id: int,
  427. analysis_id: int,
  428. step_id: int,
  429. type: Aliased<'filter' | 'cluster' | 'rescore' | 'validation' | 'other' | 'none'>(str),
  430. feature: Aliased<'energy/score' | 'RMSD' | 'dRMSD' | 'other' | 'none'>(str),
  431. num_models_begin: int,
  432. num_models_end: int,
  433. },
  434. ihm_ensemble_info: {
  435. ensemble_id: int,
  436. ensemble_name: str,
  437. post_process_id: int,
  438. model_group_id: int,
  439. ensemble_clustering_method: Aliased<'Hierarchical' | 'Partitioning (k-means)' | 'Other'>(str),
  440. ensemble_clustering_feature: Aliased<'RMSD' | 'dRMSD' | 'other'>(str),
  441. num_ensemble_models: int,
  442. num_ensemble_models_deposited: int,
  443. ensemble_precision_value: float,
  444. ensemble_file_id: int,
  445. },
  446. ihm_model_list: {
  447. ordinal_id: int,
  448. model_id: int,
  449. model_group_id: int,
  450. model_name: str,
  451. model_group_name: str,
  452. assembly_id: int,
  453. protocol_id: int,
  454. representation_id: int,
  455. },
  456. ihm_model_representative: {
  457. id: int,
  458. model_group_id: int,
  459. model_id: int,
  460. selection_criteria: Aliased<'medoid' | 'closest to the average' | 'lowest energy' | 'target function' | 'fewest violations' | 'minimized average structure' | 'best scoring model' | 'centroid' | 'other selction criteria'>(str),
  461. },
  462. ihm_dataset_list: {
  463. id: int,
  464. data_type: Aliased<'NMR data' | '3DEM volume' | '2DEM class average' | 'EM raw micrographs' | 'SAS data' | 'CX-MS data' | 'Mass Spectrometry data' | 'EPR data' | 'H/D exchange data' | 'Single molecule FRET data' | 'Experimental model' | 'Comparative model' | 'Integrative model' | 'De Novo model' | 'Predicted contacts' | 'Mutagenesis data' | 'DNA footprinting data' | 'Yeast two-hybrid screening data' | 'Other'>(str),
  465. database_hosted: Aliased<'YES' | 'NO'>(str),
  466. },
  467. ihm_dataset_group: {
  468. ordinal_id: int,
  469. group_id: int,
  470. dataset_list_id: int,
  471. },
  472. ihm_related_datasets: {
  473. ordinal_id: int,
  474. dataset_list_id_derived: int,
  475. dataset_list_id_primary: int,
  476. },
  477. ihm_dataset_related_db_reference: {
  478. id: int,
  479. dataset_list_id: int,
  480. db_name: Aliased<'PDB' | 'BMRB' | 'EMDB' | 'EMPIAR' | 'SASBDB' | 'PRIDE' | 'MODEL ARCHIVE' | 'MASSIVE' | 'BioGRID' | 'Other'>(str),
  481. accession_code: str,
  482. version: str,
  483. details: str,
  484. },
  485. ihm_external_reference_info: {
  486. reference_id: int,
  487. reference_provider: str,
  488. reference_type: Aliased<'DOI' | 'Supplementary Files'>(str),
  489. reference: str,
  490. refers_to: Aliased<'File' | 'Archive' | 'Publication' | 'Other'>(str),
  491. associated_url: str,
  492. },
  493. ihm_external_files: {
  494. id: int,
  495. reference_id: int,
  496. file_path: str,
  497. content_type: Aliased<'Input data or restraints' | 'Modeling or post-processing output' | 'Modeling workflow or script' | 'Visualization script' | 'Other'>(str),
  498. file_size_bytes: float,
  499. details: str,
  500. },
  501. ihm_dataset_external_reference: {
  502. id: int,
  503. dataset_list_id: int,
  504. file_id: int,
  505. },
  506. ihm_localization_density_files: {
  507. id: int,
  508. file_id: int,
  509. ensemble_id: int,
  510. entity_id: str,
  511. seq_id_begin: int,
  512. seq_id_end: int,
  513. asym_id: str,
  514. },
  515. ihm_predicted_contact_restraint: {
  516. id: int,
  517. group_id: int,
  518. entity_id_1: str,
  519. entity_id_2: str,
  520. asym_id_1: str,
  521. asym_id_2: str,
  522. comp_id_1: str,
  523. comp_id_2: str,
  524. seq_id_1: int,
  525. seq_id_2: int,
  526. atom_id_1: str,
  527. atom_id_2: str,
  528. distance_lower_limit: float,
  529. distance_upper_limit: float,
  530. probability: float,
  531. restraint_type: Aliased<'lower bound' | 'upper bound' | 'lower and upper bound'>(str),
  532. model_granularity: Aliased<'by-residue' | 'by-feature' | 'by-atom'>(str),
  533. dataset_list_id: int,
  534. software_id: int,
  535. },
  536. ihm_cross_link_list: {
  537. id: int,
  538. group_id: int,
  539. entity_description_1: str,
  540. entity_description_2: str,
  541. entity_id_1: str,
  542. entity_id_2: str,
  543. comp_id_1: str,
  544. comp_id_2: str,
  545. seq_id_1: int,
  546. seq_id_2: int,
  547. linker_type: Aliased<'EDC' | 'DSS' | 'EGS' | 'BS3' | 'BS2G' | 'DST' | 'sulfo-SDA' | 'sulfo-SMCC' | 'Other'>(str),
  548. dataset_list_id: int,
  549. },
  550. ihm_cross_link_restraint: {
  551. id: int,
  552. group_id: int,
  553. entity_id_1: str,
  554. entity_id_2: str,
  555. asym_id_1: str,
  556. asym_id_2: str,
  557. comp_id_1: str,
  558. comp_id_2: str,
  559. seq_id_1: int,
  560. seq_id_2: int,
  561. atom_id_1: str,
  562. atom_id_2: str,
  563. restraint_type: Aliased<'harmonic' | 'upper bound' | 'lower bound'>(str),
  564. conditional_crosslink_flag: Aliased<'ALL' | 'ANY'>(str),
  565. model_granularity: Aliased<'by-residue' | 'by-feature' | 'by-atom'>(str),
  566. distance_threshold: float,
  567. psi: float,
  568. sigma_1: float,
  569. sigma_2: float,
  570. },
  571. ihm_cross_link_result_parameters: {
  572. ordinal_id: int,
  573. restraint_id: int,
  574. model_id: int,
  575. psi: float,
  576. sigma_1: float,
  577. sigma_2: float,
  578. },
  579. ihm_2dem_class_average_restraint: {
  580. id: int,
  581. dataset_list_id: int,
  582. number_raw_micrographs: int,
  583. pixel_size_width: float,
  584. pixel_size_height: float,
  585. image_resolution: float,
  586. image_segment_flag: Aliased<'YES' | 'NO'>(str),
  587. number_of_projections: int,
  588. struct_assembly_id: int,
  589. details: str,
  590. },
  591. ihm_2dem_class_average_fitting: {
  592. ordinal_id: int,
  593. restraint_id: int,
  594. model_id: int,
  595. cross_correlation_coefficient: float,
  596. rot_matrix: Matrix(3, 3),
  597. tr_vector: Vector(3),
  598. },
  599. ihm_3dem_restraint: {
  600. ordinal_id: int,
  601. dataset_list_id: int,
  602. model_id: int,
  603. struct_assembly_id: int,
  604. fitting_method: str,
  605. number_of_gaussians: int,
  606. cross_correlation_coefficient: float,
  607. },
  608. ihm_sas_restraint: {
  609. ordinal_id: int,
  610. dataset_list_id: int,
  611. model_id: int,
  612. struct_assembly_id: int,
  613. profile_segment_flag: Aliased<'YES' | 'NO'>(str),
  614. fitting_atom_type: str,
  615. fitting_method: str,
  616. fitting_state: Aliased<'Single' | 'Multiple'>(str),
  617. radius_of_gyration: float,
  618. chi_value: float,
  619. details: str,
  620. },
  621. ihm_starting_model_coord: {
  622. ordinal_id: int,
  623. starting_model_id: str,
  624. group_PDB: Aliased<'ATOM' | 'HETATM'>(str),
  625. id: int,
  626. type_symbol: str,
  627. entity_id: str,
  628. atom_id: str,
  629. comp_id: str,
  630. seq_id: int,
  631. asym_id: str,
  632. Cartn_x: float,
  633. Cartn_y: float,
  634. Cartn_z: float,
  635. B_iso_or_equiv: float,
  636. },
  637. ihm_sphere_obj_site: {
  638. ordinal_id: int,
  639. entity_id: str,
  640. seq_id_begin: int,
  641. seq_id_end: int,
  642. asym_id: str,
  643. Cartn_x: float,
  644. Cartn_y: float,
  645. Cartn_z: float,
  646. object_radius: float,
  647. rmsf: float,
  648. model_id: int,
  649. },
  650. ihm_gaussian_obj_site: {
  651. ordinal_id: int,
  652. entity_id: str,
  653. seq_id_begin: int,
  654. seq_id_end: int,
  655. asym_id: str,
  656. mean_Cartn_x: float,
  657. mean_Cartn_y: float,
  658. mean_Cartn_z: float,
  659. weight: float,
  660. covariance_matrix: Matrix(3, 3),
  661. model_id: int,
  662. },
  663. ihm_gaussian_obj_ensemble: {
  664. ordinal_id: int,
  665. entity_id: str,
  666. seq_id_begin: int,
  667. seq_id_end: int,
  668. asym_id: str,
  669. mean_Cartn_x: float,
  670. mean_Cartn_y: float,
  671. mean_Cartn_z: float,
  672. weight: float,
  673. covariance_matrix: Matrix(3, 3),
  674. ensemble_id: int,
  675. },
  676. ihm_feature_list: {
  677. feature_id: int,
  678. feature_type: Aliased<'atom' | 'residue' | 'residue range'>(str),
  679. entity_type: Aliased<'polymer' | 'non-polymer' | 'macrolide' | 'water'>(str),
  680. },
  681. ihm_poly_residue_feature: {
  682. ordinal_id: int,
  683. feature_id: int,
  684. entity_id: str,
  685. asym_id: str,
  686. comp_id_begin: str,
  687. comp_id_end: str,
  688. seq_id_begin: int,
  689. seq_id_end: int,
  690. },
  691. ihm_derived_distance_restraint: {
  692. id: int,
  693. group_id: int,
  694. feature_id_1: int,
  695. feature_id_2: int,
  696. group_conditionality: Aliased<'ALL' | 'ANY'>(str),
  697. random_exclusion_fraction: float,
  698. distance_upper_limit: float,
  699. restraint_type: Aliased<'lower bound' | 'upper bound' | 'lower and upper bound'>(str),
  700. dataset_list_id: int,
  701. },
  702. }
  703. export type mmCIF_Schema = typeof mmCIF_Schema;
  704. export interface mmCIF_Database extends Database<mmCIF_Schema> {}