1 // $Id: mmdb_cifdefs.cpp $ 2 // ================================================================= 3 // 4 // CCP4 Coordinate Library: support of coordinate-related 5 // functionality in protein crystallography applications. 6 // 7 // Copyright (C) Eugene Krissinel 2000-2013. 8 // 9 // This library is free software: you can redistribute it and/or 10 // modify it under the terms of the GNU Lesser General Public 11 // License version 3, modified in accordance with the provisions 12 // of the license to address the requirements of UK law. 13 // 14 // You should have received a copy of the modified GNU Lesser 15 // General Public License along with this library. If not, copies 16 // may be downloaded from http://www.ccp4.ac.uk/ccp4license.php 17 // 18 // This program is distributed in the hope that it will be useful, 19 // but WITHOUT ANY WARRANTY; without even the implied warranty of 20 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 21 // GNU Lesser General Public License for more details. 22 // 23 // ================================================================= 24 // 25 // 21.11.13 <-- Date of Last Modification. 26 // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 27 // ----------------------------------------------------------------- 28 // 29 // **** Module : MMDBF_Defs <implementation> 30 // ~~~~~~~~~ 31 // **** Project : MacroMolecular Data Base (MMDB) 32 // ~~~~~~~~~ 33 // **** Namespace: mmdb:: 34 // 35 // CIF Definitions 36 // 37 // (C) E. Krissinel 2000-2013 38 // 39 // ================================================================= 40 // 41 42 #include "mmdb_cifdefs.h" 43 44 namespace mmdb { 45 46 // ------------------------------------------------------------------ 47 CIFName(int NameID,CIF_MODE Mode)48 cpstr CIFName ( int NameID, CIF_MODE Mode ) { 49 // Gives CIF name according to CIF Mode. 50 51 switch (Mode) { 52 53 case CIF_NDB : 54 55 switch (NameID) { 56 case CAT_POLY_SEQ_SCHEME : 57 return CIFCAT_NDB_POLY_SEQ_SCHEME; 58 case TAG_ID_CODE : 59 return CIFTAG_NDB_PDB_ID_CODE; 60 case TAG_CHAIN_ID : 61 return CIFTAG_NDB_CHAIN_ID; 62 case TAG_SEQ_ALIGN_BEG : 63 return CIFTAG_SEQ_ALIGN_BEG; 64 case TAG_SEQ_ALIGN_BEG_INS_CODE : 65 return CIFTAG_NDB_SEQ_ALIGN_BEG_INS_CODE; 66 case TAG_SEQ_ALIGN_END : 67 return CIFTAG_SEQ_ALIGN_END; 68 case TAG_SEQ_ALIGN_END_INS_CODE : 69 return CIFTAG_NDB_SEQ_ALIGN_END_INS_CODE; 70 case TAG_DB_ACCESSION : 71 return CIFTAG_NDB_DB_ACCESSION; 72 case TAG_DB_ALIGN_BEG : 73 return CIFTAG_DB_ALIGN_BEG; 74 case TAG_DB_ALIGN_BEG_INS_CODE : 75 return CIFTAG_NDB_DB_ALIGN_BEG_INS_CODE; 76 case TAG_DB_ALIGN_END : 77 return CIFTAG_DB_ALIGN_END; 78 case TAG_DB_ALIGN_END_INS_CODE : 79 return CIFTAG_NDB_DB_ALIGN_END_INS_CODE; 80 case TAG_SEQ_CHAIN_ID : 81 return CIFTAG_ID; 82 default : return pstr("ERROR_IN_CIF_NAME_1"); 83 } 84 85 case CIF_PDBX : 86 87 switch (NameID) { 88 case CAT_POLY_SEQ_SCHEME : 89 return CIFCAT_PDBX_POLY_SEQ_SCHEME; 90 case TAG_ID_CODE : 91 return CIFTAG_PDBX_PDB_ID_CODE; 92 case TAG_CHAIN_ID : 93 return CIFTAG_PDBX_STRAND_ID; 94 case TAG_SEQ_ALIGN_BEG : 95 return CIFTAG_SEQ_ALIGN_BEG; 96 case TAG_SEQ_ALIGN_BEG_INS_CODE : 97 return CIFTAG_PDBX_SEQ_ALIGN_BEG_INS_CODE; 98 case TAG_SEQ_ALIGN_END : 99 return CIFTAG_SEQ_ALIGN_END; 100 case TAG_SEQ_ALIGN_END_INS_CODE : 101 return CIFTAG_PDBX_SEQ_ALIGN_END_INS_CODE; 102 case TAG_DB_ACCESSION : 103 return CIFTAG_PDBX_DB_ACCESSION; 104 case TAG_DB_ALIGN_BEG : 105 return CIFTAG_DB_ALIGN_BEG; 106 case TAG_DB_ALIGN_BEG_INS_CODE : 107 return CIFTAG_PDBX_DB_ALIGN_BEG_INS_CODE; 108 case TAG_DB_ALIGN_END : 109 return CIFTAG_DB_ALIGN_END; 110 case TAG_DB_ALIGN_END_INS_CODE : 111 return CIFTAG_PDBX_DB_ALIGN_END_INS_CODE; 112 case TAG_SEQ_CHAIN_ID : 113 return CIFTAG_ASYM_ID; 114 default : return pstr("ERROR_IN_CIF_NAME_2"); 115 } 116 117 default : return pstr("ERROR_IN_CIF_NAME_3"); 118 119 } 120 121 } 122 123 cpstr CIFCAT_ATOM_SITE = cpstr("_atom_site"); 124 cpstr CIFCAT_ATOM_SITE_ANISOTROP = cpstr("_atom_site_anisotrop"); 125 cpstr CIFCAT_ATOM_SITES = cpstr("_atom_sites"); 126 cpstr CIFCAT_AUDIT_AUTHOR = cpstr("_audit_author"); 127 cpstr CIFCAT_CELL = cpstr("_cell"); 128 cpstr CIFCAT_CHEM_COMP = cpstr("_chem_comp"); 129 cpstr CIFCAT_CITATION = cpstr("_citation"); 130 cpstr CIFCAT_DATABASE = cpstr("_database"); 131 cpstr CIFCAT_DATABASE_PDB_CAVEAT = cpstr("_database_pdb_caveat"); 132 cpstr CIFCAT_DATABASE_PDB_MATRIX = cpstr("_database_pdb_matrix"); 133 cpstr CIFCAT_DATABASE_PDB_REV = cpstr("_database_pdb_rev"); 134 cpstr CIFCAT_DATABASE_PDB_TVECT = cpstr("_database_pdb_tvect"); 135 cpstr CIFCAT_ENTITY = cpstr("_entity"); 136 cpstr CIFCAT_EXPTL = cpstr("_exptl"); 137 cpstr CIFCAT_NDB_DATABASE_REMARK = cpstr("_ndb_database_remark"); 138 cpstr CIFCAT_NDB_NONSTANDARD_LIST = cpstr("_ndb_nonstandard_list"); 139 cpstr CIFCAT_NDB_POLY_SEQ_SCHEME = cpstr("_ndb_poly_seq_scheme"); 140 cpstr CIFCAT_PDBX_POLY_SEQ_SCHEME = cpstr("_pdbx_poly_seq_scheme"); 141 cpstr CIFCAT_REFINE = cpstr("_refine"); 142 cpstr CIFCAT_SPRSDE = cpstr("_ndb_database_pdb_obs_spr"); 143 cpstr CIFCAT_STRUCT = cpstr("_struct"); 144 cpstr CIFCAT_STRUCT_ASYM = cpstr("_struct_asym"); 145 cpstr CIFCAT_STRUCT_CONF = cpstr("_struct_conf"); 146 cpstr CIFCAT_STRUCT_CONN = cpstr("_struct_conn"); 147 cpstr CIFCAT_STRUCT_LINKR = cpstr("_struct_linkr"); 148 cpstr CIFCAT_STRUCT_KEYWORDS = cpstr("_struct_keywords"); 149 cpstr CIFCAT_STRUCT_NCS_OPER = cpstr("_struct_ncs_oper"); 150 cpstr CIFCAT_STRUCT_REF = cpstr("_struct_ref"); 151 cpstr CIFCAT_STRUCT_REF_SEQ = cpstr("_struct_ref_seq"); 152 cpstr CIFCAT_STRUCT_REF_SEQ_DIF = cpstr("_struct_ref_seq_dif"); 153 cpstr CIFCAT_STRUCT_SHEET = cpstr("_struct_sheet"); 154 cpstr CIFCAT_STRUCT_SHEET_RANGE = cpstr("_struct_sheet_range"); 155 cpstr CIFCAT_STRUCT_SHEET_ORDER = cpstr("_struct_sheet_order"); 156 cpstr CIFCAT_STRUCT_SHEET_HBOND = cpstr("_struct_sheet_hbond"); 157 cpstr CIFCAT_SYMMETRY = cpstr("_symmetry"); 158 cpstr CIFCAT_OBSLTE = cpstr("_ndb_database_pdb_obs_spr"); 159 160 161 cpstr CIFTAG_ANGLE_ALPHA = cpstr("angle_alpha"); 162 cpstr CIFTAG_ANGLE_BETA = cpstr("angle_beta"); 163 cpstr CIFTAG_ANGLE_GAMMA = cpstr("angle_gamma"); 164 cpstr CIFTAG_ASYM_ID = cpstr("asym_id"); 165 cpstr CIFTAG_ATOM_TYPE_SYMBOL = cpstr("atom_type_symbol"); 166 cpstr CIFTAG_AUTH_ASYM_ID = cpstr("auth_asym_id"); 167 cpstr CIFTAG_AUTH_ATOM_ID = cpstr("auth_atom_id"); 168 cpstr CIFTAG_AUTH_COMP_ID = cpstr("auth_comp_id"); 169 cpstr CIFTAG_AUTH_SEQ_ID = cpstr("auth_seq_id"); 170 cpstr CIFTAG_B_ISO_OR_EQUIV = cpstr("B_iso_or_equiv"); 171 cpstr CIFTAG_B_ISO_OR_EQUIV_ESD = cpstr("B_iso_or_equiv_esd"); 172 cpstr CIFTAG_BEG_LABEL_ASYM_ID = cpstr("beg_label_asym_id"); 173 cpstr CIFTAG_BEG_LABEL_COMP_ID = cpstr("beg_label_comp_id"); 174 cpstr CIFTAG_BEG_LABEL_SEQ_ID = cpstr("beg_label_seq_id"); 175 cpstr CIFTAG_CARTN_X = cpstr("cartn_x"); 176 cpstr CIFTAG_CARTN_X_ESD = cpstr("cartn_x_esd"); 177 cpstr CIFTAG_CARTN_Y = cpstr("cartn_y"); 178 cpstr CIFTAG_CARTN_Y_ESD = cpstr("cartn_y_esd"); 179 cpstr CIFTAG_CARTN_Z = cpstr("cartn_z"); 180 cpstr CIFTAG_CARTN_Z_ESD = cpstr("cartn_z_esd"); 181 cpstr CIFTAG_PDBX_FORMAL_CHARGE = cpstr("pdbx_formal_charge"); 182 cpstr CIFTAG_CODE = cpstr("code"); 183 cpstr CIFTAG_CODE_NDB = cpstr("code_NDB"); 184 cpstr CIFTAG_CODE_PDB = cpstr("code_PDB"); 185 cpstr CIFTAG_CONF_TYPE_ID = cpstr("conf_type_id"); 186 cpstr CIFTAG_CONN_TYPE_ID = cpstr("conn_type_id"); 187 cpstr CIFTAG_DATE = cpstr("date"); 188 cpstr CIFTAG_DATE_ORIGINAL = cpstr("date_original"); 189 cpstr CIFTAG_DB_ALIGN_BEG = cpstr("db_align_beg"); 190 cpstr CIFTAG_DB_ALIGN_END = cpstr("db_align_end"); 191 cpstr CIFTAG_DB_CODE = cpstr("db_code"); 192 cpstr CIFTAG_DB_MON_ID = cpstr("db_mon_id"); 193 cpstr CIFTAG_DB_NAME = cpstr("db_name"); 194 cpstr CIFTAG_DETAILS = cpstr("details"); 195 cpstr CIFTAG_END_LABEL_ASYM_ID = cpstr("end_label_asym_id"); 196 cpstr CIFTAG_END_LABEL_COMP_ID = cpstr("end_label_comp_id"); 197 cpstr CIFTAG_END_LABEL_SEQ_ID = cpstr("end_label_seq_id"); 198 cpstr CIFTAG_ENTITY_ID = cpstr("entity_id"); 199 cpstr CIFTAG_ENTRY_ID = cpstr("entry_id"); 200 cpstr CIFTAG_FORMULA = cpstr("formula"); 201 cpstr CIFTAG_FRACT_TRANSF_MATRIX11 = cpstr("fract_transf_matrix[1][1]"); 202 cpstr CIFTAG_FRACT_TRANSF_MATRIX12 = cpstr("fract_transf_matrix[1][2]"); 203 cpstr CIFTAG_FRACT_TRANSF_MATRIX13 = cpstr("fract_transf_matrix[1][3]"); 204 cpstr CIFTAG_FRACT_TRANSF_MATRIX21 = cpstr("fract_transf_matrix[2][1]"); 205 cpstr CIFTAG_FRACT_TRANSF_MATRIX22 = cpstr("fract_transf_matrix[2][2]"); 206 cpstr CIFTAG_FRACT_TRANSF_MATRIX23 = cpstr("fract_transf_matrix[2][3]"); 207 cpstr CIFTAG_FRACT_TRANSF_MATRIX31 = cpstr("fract_transf_matrix[3][1]"); 208 cpstr CIFTAG_FRACT_TRANSF_MATRIX32 = cpstr("fract_transf_matrix[3][2]"); 209 cpstr CIFTAG_FRACT_TRANSF_MATRIX33 = cpstr("fract_transf_matrix[3][3]"); 210 cpstr CIFTAG_FRACT_TRANSF_VECTOR1 = cpstr("fract_transf_vector[1]"); 211 cpstr CIFTAG_FRACT_TRANSF_VECTOR2 = cpstr("fract_transf_vector[2]"); 212 cpstr CIFTAG_FRACT_TRANSF_VECTOR3 = cpstr("fract_transf_vector[3]"); 213 cpstr CIFTAG_GROUP_PDB = cpstr("group_PDB" ); 214 cpstr CIFTAG_ID = cpstr("id"); 215 cpstr CIFTAG_INS_CODE = cpstr("ins_code"); 216 cpstr CIFTAG_LABEL_ALT_ID = cpstr("label_alt_id"); 217 cpstr CIFTAG_LABEL_ATOM_ID = cpstr("label_atom_id"); 218 cpstr CIFTAG_LABEL_ASYM_ID = cpstr("label_asym_id"); 219 cpstr CIFTAG_LABEL_COMP_ID = cpstr("label_comp_id"); 220 cpstr CIFTAG_LABEL_ENTITY_ID = cpstr("label_entity_id"); 221 cpstr CIFTAG_LABEL_SEQ_ID = cpstr("label_seq_id"); 222 cpstr CIFTAG_LENGTH_A = cpstr("length_a"); 223 cpstr CIFTAG_LENGTH_B = cpstr("length_b"); 224 cpstr CIFTAG_LENGTH_C = cpstr("length_c"); 225 cpstr CIFTAG_LS_D_RES_HIGH = cpstr("ls_d_res_high"); 226 cpstr CIFTAG_MATRIX11 = cpstr("matrix[1][1]"); 227 cpstr CIFTAG_MATRIX12 = cpstr("matrix[1][2]"); 228 cpstr CIFTAG_MATRIX13 = cpstr("matrix[1][3]"); 229 cpstr CIFTAG_MATRIX21 = cpstr("matrix[2][1]"); 230 cpstr CIFTAG_MATRIX22 = cpstr("matrix[2][2]"); 231 cpstr CIFTAG_MATRIX23 = cpstr("matrix[2][3]"); 232 cpstr CIFTAG_MATRIX31 = cpstr("matrix[3][1]"); 233 cpstr CIFTAG_MATRIX32 = cpstr("matrix[3][2]"); 234 cpstr CIFTAG_MATRIX33 = cpstr("matrix[3][3]"); 235 cpstr CIFTAG_METHOD = cpstr("method"); 236 cpstr CIFTAG_MOD_TYPE = cpstr("mod_type"); 237 cpstr CIFTAG_MON_ID = cpstr("mon_id"); 238 cpstr CIFTAG_NAME = cpstr("name"); 239 cpstr CIFTAG_NDB_BEG_LABEL_INS_CODE_PDB = cpstr("ndb_beg_label_ins_code_pdb"); 240 cpstr CIFTAG_NDB_CHAIN_ID = cpstr("ndb_chain_id"); 241 cpstr CIFTAG_NDB_COMPONENT_NO = cpstr("ndb_component_no"); 242 cpstr CIFTAG_NDB_DESCRIPTOR = cpstr("ndb_descriptor"); 243 cpstr CIFTAG_NDB_DB_ACCESSION = cpstr("ndb_db_accession"); 244 cpstr CIFTAG_NDB_DB_ALIGN_BEG_INS_CODE = cpstr("ndb_db_align_beg_ins_code"); 245 cpstr CIFTAG_NDB_DB_ALIGN_END_INS_CODE = cpstr("ndb_db_align_end_ins_code"); 246 cpstr CIFTAG_NDB_END_LABEL_INS_CODE_PDB = cpstr("ndb_end_label_ins_code_pdb"); 247 //cpstr CIFTAG_NDB_INS_CODE = cpstr("ndb_ins_code"); 248 cpstr CIFTAG_PDBX_PDB_INS_CODE = cpstr("pdbx_PDB_ins_code"); 249 cpstr CIFTAG_NDB_HELIX_CLASS_PDB = cpstr("ndb_helix_class_pdb"); 250 cpstr CIFTAG_NDB_KEYWORDS = cpstr("ndb_keywords"); 251 cpstr CIFTAG_NDB_LABEL_ALT_ID = cpstr("ndb_label_alt_id"); 252 cpstr CIFTAG_NDB_LABEL_ATOM_ID = cpstr("ndb_label_atom_id"); 253 cpstr CIFTAG_NDB_LABEL_ASYM_ID = cpstr("ndb_label_asym_id"); 254 cpstr CIFTAG_NDB_LABEL_COMP_ID = cpstr("ndb_label_comp_id"); 255 cpstr CIFTAG_NDB_LABEL_INS_CODE = cpstr("ndb_label_ins_code"); 256 cpstr CIFTAG_NDB_LABEL_SEQ_NUM = cpstr("ndb_label_seq_num"); 257 cpstr CIFTAG_NDB_LENGTH = cpstr("ndb_length"); 258 cpstr CIFTAG_NDB_MODEL = cpstr("ndb_model"); 259 cpstr CIFTAG_NDB_PDB_CHAIN_ID = cpstr("ndb_pdb_chain_id"); 260 cpstr CIFTAG_NDB_PDB_ID = cpstr("ndb_pdb_id"); 261 cpstr CIFTAG_NDB_PDB_ID_CODE = cpstr("ndb_pdb_id_code"); 262 cpstr CIFTAG_NDB_PDB_INS_CODE = cpstr("ndb_pdb_ins_code"); 263 cpstr CIFTAG_NDB_PTNR1_LABEL_INS_CODE = cpstr("ndb_ptnr1_label_ins_code"); 264 cpstr CIFTAG_NDB_PTNR1_STANDARD_COMP_ID = cpstr("ndb_ptnr1_standard_comp_id"); 265 cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_COMP_ID = cpstr("ndb_range_1_beg_label_comp_id"); 266 cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_ASYM_ID = cpstr("ndb_range_1_beg_label_asym_id"); 267 cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_INS_CODE= cpstr("ndb_range_1_beg_label_ins_code"); 268 cpstr CIFTAG_NDB_RANGE_1_END_LABEL_COMP_ID = cpstr("ndb_range_1_end_label_comp_id"); 269 cpstr CIFTAG_NDB_RANGE_1_END_LABEL_ASYM_ID = cpstr("ndb_range_1_end_label_asym_id"); 270 cpstr CIFTAG_NDB_RANGE_1_END_LABEL_INS_CODE= cpstr("ndb_range_1_end_label_ins_code"); 271 cpstr CIFTAG_NDB_SEQ_ALIGN_BEG = cpstr("ndb_seq_align_beg"); 272 cpstr CIFTAG_NDB_SEQ_ALIGN_BEG_INS_CODE = cpstr("ndb_seq_align_beg_ins_code"); 273 cpstr CIFTAG_NDB_SEQ_ALIGN_END = cpstr("ndb_seq_align_end"); 274 cpstr CIFTAG_NDB_SEQ_ALIGN_END_INS_CODE = cpstr("ndb_seq_align_end_ins_code"); 275 cpstr CIFTAG_NDB_SEQ_DB_NAME = cpstr("ndb_seq_db_name"); 276 cpstr CIFTAG_NDB_SEQ_DB_ACCESSION_CODE = cpstr("ndb_seq_db_accession_code"); 277 cpstr CIFTAG_NDB_SEQ_DB_SEQ_NUM = cpstr("ndb_seq_db_seq_num"); 278 cpstr CIFTAG_NDB_SYNONYMS = cpstr("ndb_synonyms"); 279 cpstr CIFTAG_NUM = cpstr("num"); 280 cpstr CIFTAG_NUMBER_ATOMS_NH = cpstr("number_atoms_nh"); 281 cpstr CIFTAG_NUMBER_STRANDS = cpstr("number_strands"); 282 cpstr CIFTAG_OCCUPANCY = cpstr("occupancy"); 283 cpstr CIFTAG_OCCUPANCY_ESD = cpstr("occupancy_esd"); 284 cpstr CIFTAG_ORIGX11 = cpstr("origx[1][1]"); 285 cpstr CIFTAG_ORIGX12 = cpstr("origx[1][2]"); 286 cpstr CIFTAG_ORIGX13 = cpstr("origx[1][3]"); 287 cpstr CIFTAG_ORIGX21 = cpstr("origx[2][1]"); 288 cpstr CIFTAG_ORIGX22 = cpstr("origx[2][2]"); 289 cpstr CIFTAG_ORIGX23 = cpstr("origx[2][3]"); 290 cpstr CIFTAG_ORIGX31 = cpstr("origx[3][1]"); 291 cpstr CIFTAG_ORIGX32 = cpstr("origx[3][2]"); 292 cpstr CIFTAG_ORIGX33 = cpstr("origx[3][3]"); 293 cpstr CIFTAG_ORIGX_VECTOR1 = cpstr("origx_vector[1]"); 294 cpstr CIFTAG_ORIGX_VECTOR2 = cpstr("origx_vector[2]"); 295 cpstr CIFTAG_ORIGX_VECTOR3 = cpstr("origx_vector[3]"); 296 cpstr CIFTAG_PDB_ID = cpstr("pdb_id"); 297 cpstr CIFTAG_PDB_MON_ID = cpstr("pdb_mon_id"); 298 cpstr CIFTAG_PDB_STRAND_ID = cpstr("pdb_strand_id"); 299 cpstr CIFTAG_PDBX_DB_ACCESSION = cpstr("pdbx_db_accession"); 300 cpstr CIFTAG_PDBX_DB_ALIGN_BEG_INS_CODE = cpstr("pdbx_db_align_beg_ins_code"); 301 cpstr CIFTAG_PDBX_DB_ALIGN_END_INS_CODE = cpstr("pdbx_db_align_end_ins_code"); 302 cpstr CIFTAG_PDBX_PDB_ID_CODE = cpstr("pdbx_PDB_id_code"); 303 cpstr CIFTAG_PDBX_PDB_MODEL_NUM = cpstr("pdbx_PDB_model_num"); 304 cpstr CIFTAG_PDBX_STRAND_ID = cpstr("pdbx_strand_id"); 305 cpstr CIFTAG_RANGE_1_BEG_LABEL_ATOM_ID = cpstr("range_1_beg_label_atom_id"); 306 cpstr CIFTAG_RANGE_1_BEG_LABEL_SEQ_ID = cpstr("range_1_beg_label_seq_id"); 307 cpstr CIFTAG_RANGE_1_END_LABEL_ATOM_ID = cpstr("range_1_end_label_atom_id"); 308 cpstr CIFTAG_RANGE_1_END_LABEL_SEQ_ID = cpstr("range_1_end_label_seq_id"); 309 cpstr CIFTAG_RANGE_ID_1 = cpstr("range_id_1"); 310 cpstr CIFTAG_RANGE_ID_2 = cpstr("range_id_2"); 311 cpstr CIFTAG_RCSB_RECORD_REVISED_1 = cpstr("rcsb_record_revised_1"); 312 cpstr CIFTAG_RCSB_RECORD_REVISED_2 = cpstr("rcsb_record_revised_2"); 313 cpstr CIFTAG_RCSB_RECORD_REVISED_3 = cpstr("rcsb_record_revised_3"); 314 cpstr CIFTAG_RCSB_RECORD_REVISED_4 = cpstr("rcsb_record_revised_4"); 315 cpstr CIFTAG_PDBX_SEQ_ALIGN_BEG_INS_CODE = cpstr("pdbx_seq_align_beg_ins_code"); 316 cpstr CIFTAG_PDBX_SEQ_ALIGN_END_INS_CODE = cpstr("pdbx_seq_align_end_ins_code"); 317 cpstr CIFTAG_PTNR1_LABEL_ASYM_ID = cpstr("ptnr1_label_asym_id"); 318 cpstr CIFTAG_PTNR1_LABEL_COMP_ID = cpstr("ptnr1_label_comp_id"); 319 cpstr CIFTAG_PTNR1_LABEL_SEQ_ID = cpstr("ptnr1_label_seq_id"); 320 cpstr CIFTAG_REF_ID = cpstr("ref_id"); 321 cpstr CIFTAG_REPLACES = cpstr("replaces"); 322 cpstr CIFTAG_REPLACE_PDB_ID = cpstr("replace_pdb_id"); 323 cpstr CIFTAG_SEGMENT_ID = cpstr("segment_id"); 324 cpstr CIFTAG_SEQ_ALIGN_BEG = cpstr("seq_align_beg"); 325 cpstr CIFTAG_SEQ_ALIGN_END = cpstr("seq_align_end"); 326 cpstr CIFTAG_SEQ_NUM = cpstr("seq_num"); 327 cpstr CIFTAG_SENSE = cpstr("sense"); 328 cpstr CIFTAG_SHEET_ID = cpstr("sheet_id"); 329 cpstr CIFTAG_SOURCE = cpstr("source"); 330 cpstr CIFTAG_SPACE_GROUP_NAME_H_M = cpstr("space_group_name_H-M"); 331 cpstr CIFTAG_TEXT = cpstr("text"); 332 cpstr CIFTAG_TITLE = cpstr("title"); 333 cpstr CIFTAG_TYPE = cpstr("type"); 334 cpstr CIFTAG_TYPE_SYMBOL = cpstr("type_symbol"); 335 cpstr CIFTAG_VECTOR1 = cpstr("vector[1]"); 336 cpstr CIFTAG_VECTOR2 = cpstr("vector[2]"); 337 cpstr CIFTAG_VECTOR3 = cpstr("vector[3]"); 338 cpstr CIFTAG_U11 = cpstr("u[1][1]"); 339 cpstr CIFTAG_U11_ESD = cpstr("u[1][1]_esd"); 340 cpstr CIFTAG_U12 = cpstr("u[1][2]"); 341 cpstr CIFTAG_U12_ESD = cpstr("u[1][2]_esd"); 342 cpstr CIFTAG_U13 = cpstr("u[1][3]"); 343 cpstr CIFTAG_U13_ESD = cpstr("u[1][3]_esd"); 344 cpstr CIFTAG_U22 = cpstr("u[2][2]"); 345 cpstr CIFTAG_U22_ESD = cpstr("u[2][2]_esd"); 346 cpstr CIFTAG_U23 = cpstr("u[2][3]"); 347 cpstr CIFTAG_U23_ESD = cpstr("u[2][3]_esd"); 348 cpstr CIFTAG_U33 = cpstr("u[3][3]"); 349 cpstr CIFTAG_U33_ESD = cpstr("u[3][3]_esd"); 350 cpstr CIFTAG_Z_PDB = cpstr("z_pdb"); 351 352 cpstr CIFTAG_CONN_PTNR1_AUTH_ATOM_ID = cpstr("ptnr1_auth_atom_id"); 353 cpstr CIFTAG_CONN_PDBX_PTNR1_AUTH_ALT_ID = cpstr("pdbx_ptnr1_auth_alt_id"); 354 cpstr CIFTAG_CONN_PTNR1_AUTH_COMP_ID = cpstr("ptnr1_auth_comp_id"); 355 cpstr CIFTAG_CONN_PTNR1_AUTH_ASYM_ID = cpstr("ptnr1_auth_asym_id"); 356 cpstr CIFTAG_CONN_PTNR1_AUTH_SEQ_ID = cpstr("ptnr1_auth_seq_id"); 357 cpstr CIFTAG_CONN_PDBX_PTNR1_PDB_INS_CODE = cpstr("pdbx_ptnr1_PDB_ins_code"); 358 cpstr CIFTAG_CONN_DIST = cpstr("link_dist"); 359 cpstr CIFTAG_CONN_PTNR2_AUTH_ATOM_ID = cpstr("ptnr2_auth_atom_id"); 360 cpstr CIFTAG_CONN_PDBX_PTNR2_AUTH_ALT_ID = cpstr("pdbx_ptnr2_auth_alt_id"); 361 cpstr CIFTAG_CONN_PTNR2_AUTH_COMP_ID = cpstr("ptnr2_auth_comp_id"); 362 cpstr CIFTAG_CONN_PTNR2_AUTH_ASYM_ID = cpstr("ptnr2_auth_asym_id"); 363 cpstr CIFTAG_CONN_PTNR2_AUTH_SEQ_ID = cpstr("ptnr2_auth_seq_id"); 364 cpstr CIFTAG_CONN_PDBX_PTNR2_PDB_INS_CODE = cpstr("pdbx_ptnr2_PDB_ins_code"); 365 cpstr CIFTAG_CONN_PTNR1_SYMMETRY = cpstr("ptnr1_symmetry"); 366 cpstr CIFTAG_CONN_PTNR2_SYMMETRY = cpstr("ptnr2_symmetry"); 367 cpstr CIFTAG_CONN_NAME = cpstr("link_name"); 368 369 } // namespace mmdb 370