// $Id: mmdb_cifdefs.cpp $ // ================================================================= // // CCP4 Coordinate Library: support of coordinate-related // functionality in protein crystallography applications. // // Copyright (C) Eugene Krissinel 2000-2013. // // This library is free software: you can redistribute it and/or // modify it under the terms of the GNU Lesser General Public // License version 3, modified in accordance with the provisions // of the license to address the requirements of UK law. // // You should have received a copy of the modified GNU Lesser // General Public License along with this library. If not, copies // may be downloaded from http://www.ccp4.ac.uk/ccp4license.php // // This program is distributed in the hope that it will be useful, // but WITHOUT ANY WARRANTY; without even the implied warranty of // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the // GNU Lesser General Public License for more details. // // ================================================================= // // 21.11.13 <-- Date of Last Modification. // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // ----------------------------------------------------------------- // // **** Module : MMDBF_Defs // ~~~~~~~~~ // **** Project : MacroMolecular Data Base (MMDB) // ~~~~~~~~~ // **** Namespace: mmdb:: // // CIF Definitions // // (C) E. Krissinel 2000-2013 // // ================================================================= // #include "mmdb_cifdefs.h" namespace mmdb { // ------------------------------------------------------------------ cpstr CIFName ( int NameID, CIF_MODE Mode ) { // Gives CIF name according to CIF Mode. switch (Mode) { case CIF_NDB : switch (NameID) { case CAT_POLY_SEQ_SCHEME : return CIFCAT_NDB_POLY_SEQ_SCHEME; case TAG_ID_CODE : return CIFTAG_NDB_PDB_ID_CODE; case TAG_CHAIN_ID : return CIFTAG_NDB_CHAIN_ID; case TAG_SEQ_ALIGN_BEG : return CIFTAG_SEQ_ALIGN_BEG; case TAG_SEQ_ALIGN_BEG_INS_CODE : return CIFTAG_NDB_SEQ_ALIGN_BEG_INS_CODE; case TAG_SEQ_ALIGN_END : return CIFTAG_SEQ_ALIGN_END; case TAG_SEQ_ALIGN_END_INS_CODE : return CIFTAG_NDB_SEQ_ALIGN_END_INS_CODE; case TAG_DB_ACCESSION : return CIFTAG_NDB_DB_ACCESSION; case TAG_DB_ALIGN_BEG : return CIFTAG_DB_ALIGN_BEG; case TAG_DB_ALIGN_BEG_INS_CODE : return CIFTAG_NDB_DB_ALIGN_BEG_INS_CODE; case TAG_DB_ALIGN_END : return CIFTAG_DB_ALIGN_END; case TAG_DB_ALIGN_END_INS_CODE : return CIFTAG_NDB_DB_ALIGN_END_INS_CODE; case TAG_SEQ_CHAIN_ID : return CIFTAG_ID; default : return pstr("ERROR_IN_CIF_NAME_1"); } case CIF_PDBX : switch (NameID) { case CAT_POLY_SEQ_SCHEME : return CIFCAT_PDBX_POLY_SEQ_SCHEME; case TAG_ID_CODE : return CIFTAG_PDBX_PDB_ID_CODE; case TAG_CHAIN_ID : return CIFTAG_PDBX_STRAND_ID; case TAG_SEQ_ALIGN_BEG : return CIFTAG_SEQ_ALIGN_BEG; case TAG_SEQ_ALIGN_BEG_INS_CODE : return CIFTAG_PDBX_SEQ_ALIGN_BEG_INS_CODE; case TAG_SEQ_ALIGN_END : return CIFTAG_SEQ_ALIGN_END; case TAG_SEQ_ALIGN_END_INS_CODE : return CIFTAG_PDBX_SEQ_ALIGN_END_INS_CODE; case TAG_DB_ACCESSION : return CIFTAG_PDBX_DB_ACCESSION; case TAG_DB_ALIGN_BEG : return CIFTAG_DB_ALIGN_BEG; case TAG_DB_ALIGN_BEG_INS_CODE : return CIFTAG_PDBX_DB_ALIGN_BEG_INS_CODE; case TAG_DB_ALIGN_END : return CIFTAG_DB_ALIGN_END; case TAG_DB_ALIGN_END_INS_CODE : return CIFTAG_PDBX_DB_ALIGN_END_INS_CODE; case TAG_SEQ_CHAIN_ID : return CIFTAG_ASYM_ID; default : return pstr("ERROR_IN_CIF_NAME_2"); } default : return pstr("ERROR_IN_CIF_NAME_3"); } } cpstr CIFCAT_ATOM_SITE = cpstr("_atom_site"); cpstr CIFCAT_ATOM_SITE_ANISOTROP = cpstr("_atom_site_anisotrop"); cpstr CIFCAT_ATOM_SITES = cpstr("_atom_sites"); cpstr CIFCAT_AUDIT_AUTHOR = cpstr("_audit_author"); cpstr CIFCAT_CELL = cpstr("_cell"); cpstr CIFCAT_CHEM_COMP = cpstr("_chem_comp"); cpstr CIFCAT_CITATION = cpstr("_citation"); cpstr CIFCAT_DATABASE = cpstr("_database"); cpstr CIFCAT_DATABASE_PDB_CAVEAT = cpstr("_database_pdb_caveat"); cpstr CIFCAT_DATABASE_PDB_MATRIX = cpstr("_database_pdb_matrix"); cpstr CIFCAT_DATABASE_PDB_REV = cpstr("_database_pdb_rev"); cpstr CIFCAT_DATABASE_PDB_TVECT = cpstr("_database_pdb_tvect"); cpstr CIFCAT_ENTITY = cpstr("_entity"); cpstr CIFCAT_EXPTL = cpstr("_exptl"); cpstr CIFCAT_NDB_DATABASE_REMARK = cpstr("_ndb_database_remark"); cpstr CIFCAT_NDB_NONSTANDARD_LIST = cpstr("_ndb_nonstandard_list"); cpstr CIFCAT_NDB_POLY_SEQ_SCHEME = cpstr("_ndb_poly_seq_scheme"); cpstr CIFCAT_PDBX_POLY_SEQ_SCHEME = cpstr("_pdbx_poly_seq_scheme"); cpstr CIFCAT_REFINE = cpstr("_refine"); cpstr CIFCAT_SPRSDE = cpstr("_ndb_database_pdb_obs_spr"); cpstr CIFCAT_STRUCT = cpstr("_struct"); cpstr CIFCAT_STRUCT_ASYM = cpstr("_struct_asym"); cpstr CIFCAT_STRUCT_CONF = cpstr("_struct_conf"); cpstr CIFCAT_STRUCT_CONN = cpstr("_struct_conn"); cpstr CIFCAT_STRUCT_LINKR = cpstr("_struct_linkr"); cpstr CIFCAT_STRUCT_KEYWORDS = cpstr("_struct_keywords"); cpstr CIFCAT_STRUCT_NCS_OPER = cpstr("_struct_ncs_oper"); cpstr CIFCAT_STRUCT_REF = cpstr("_struct_ref"); cpstr CIFCAT_STRUCT_REF_SEQ = cpstr("_struct_ref_seq"); cpstr CIFCAT_STRUCT_REF_SEQ_DIF = cpstr("_struct_ref_seq_dif"); cpstr CIFCAT_STRUCT_SHEET = cpstr("_struct_sheet"); cpstr CIFCAT_STRUCT_SHEET_RANGE = cpstr("_struct_sheet_range"); cpstr CIFCAT_STRUCT_SHEET_ORDER = cpstr("_struct_sheet_order"); cpstr CIFCAT_STRUCT_SHEET_HBOND = cpstr("_struct_sheet_hbond"); cpstr CIFCAT_SYMMETRY = cpstr("_symmetry"); cpstr CIFCAT_OBSLTE = cpstr("_ndb_database_pdb_obs_spr"); cpstr CIFTAG_ANGLE_ALPHA = cpstr("angle_alpha"); cpstr CIFTAG_ANGLE_BETA = cpstr("angle_beta"); cpstr CIFTAG_ANGLE_GAMMA = cpstr("angle_gamma"); cpstr CIFTAG_ASYM_ID = cpstr("asym_id"); cpstr CIFTAG_ATOM_TYPE_SYMBOL = cpstr("atom_type_symbol"); cpstr CIFTAG_AUTH_ASYM_ID = cpstr("auth_asym_id"); cpstr CIFTAG_AUTH_ATOM_ID = cpstr("auth_atom_id"); cpstr CIFTAG_AUTH_COMP_ID = cpstr("auth_comp_id"); cpstr CIFTAG_AUTH_SEQ_ID = cpstr("auth_seq_id"); cpstr CIFTAG_B_ISO_OR_EQUIV = cpstr("B_iso_or_equiv"); cpstr CIFTAG_B_ISO_OR_EQUIV_ESD = cpstr("B_iso_or_equiv_esd"); cpstr CIFTAG_BEG_LABEL_ASYM_ID = cpstr("beg_label_asym_id"); cpstr CIFTAG_BEG_LABEL_COMP_ID = cpstr("beg_label_comp_id"); cpstr CIFTAG_BEG_LABEL_SEQ_ID = cpstr("beg_label_seq_id"); cpstr CIFTAG_CARTN_X = cpstr("cartn_x"); cpstr CIFTAG_CARTN_X_ESD = cpstr("cartn_x_esd"); cpstr CIFTAG_CARTN_Y = cpstr("cartn_y"); cpstr CIFTAG_CARTN_Y_ESD = cpstr("cartn_y_esd"); cpstr CIFTAG_CARTN_Z = cpstr("cartn_z"); cpstr CIFTAG_CARTN_Z_ESD = cpstr("cartn_z_esd"); cpstr CIFTAG_PDBX_FORMAL_CHARGE = cpstr("pdbx_formal_charge"); cpstr CIFTAG_CODE = cpstr("code"); cpstr CIFTAG_CODE_NDB = cpstr("code_NDB"); cpstr CIFTAG_CODE_PDB = cpstr("code_PDB"); cpstr CIFTAG_CONF_TYPE_ID = cpstr("conf_type_id"); cpstr CIFTAG_CONN_TYPE_ID = cpstr("conn_type_id"); cpstr CIFTAG_DATE = cpstr("date"); cpstr CIFTAG_DATE_ORIGINAL = cpstr("date_original"); cpstr CIFTAG_DB_ALIGN_BEG = cpstr("db_align_beg"); cpstr CIFTAG_DB_ALIGN_END = cpstr("db_align_end"); cpstr CIFTAG_DB_CODE = cpstr("db_code"); cpstr CIFTAG_DB_MON_ID = cpstr("db_mon_id"); cpstr CIFTAG_DB_NAME = cpstr("db_name"); cpstr CIFTAG_DETAILS = cpstr("details"); cpstr CIFTAG_END_LABEL_ASYM_ID = cpstr("end_label_asym_id"); cpstr CIFTAG_END_LABEL_COMP_ID = cpstr("end_label_comp_id"); cpstr CIFTAG_END_LABEL_SEQ_ID = cpstr("end_label_seq_id"); cpstr CIFTAG_ENTITY_ID = cpstr("entity_id"); cpstr CIFTAG_ENTRY_ID = cpstr("entry_id"); cpstr CIFTAG_FORMULA = cpstr("formula"); cpstr CIFTAG_FRACT_TRANSF_MATRIX11 = cpstr("fract_transf_matrix[1][1]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX12 = cpstr("fract_transf_matrix[1][2]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX13 = cpstr("fract_transf_matrix[1][3]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX21 = cpstr("fract_transf_matrix[2][1]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX22 = cpstr("fract_transf_matrix[2][2]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX23 = cpstr("fract_transf_matrix[2][3]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX31 = cpstr("fract_transf_matrix[3][1]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX32 = cpstr("fract_transf_matrix[3][2]"); cpstr CIFTAG_FRACT_TRANSF_MATRIX33 = cpstr("fract_transf_matrix[3][3]"); cpstr CIFTAG_FRACT_TRANSF_VECTOR1 = cpstr("fract_transf_vector[1]"); cpstr CIFTAG_FRACT_TRANSF_VECTOR2 = cpstr("fract_transf_vector[2]"); cpstr CIFTAG_FRACT_TRANSF_VECTOR3 = cpstr("fract_transf_vector[3]"); cpstr CIFTAG_GROUP_PDB = cpstr("group_PDB" ); cpstr CIFTAG_ID = cpstr("id"); cpstr CIFTAG_INS_CODE = cpstr("ins_code"); cpstr CIFTAG_LABEL_ALT_ID = cpstr("label_alt_id"); cpstr CIFTAG_LABEL_ATOM_ID = cpstr("label_atom_id"); cpstr CIFTAG_LABEL_ASYM_ID = cpstr("label_asym_id"); cpstr CIFTAG_LABEL_COMP_ID = cpstr("label_comp_id"); cpstr CIFTAG_LABEL_ENTITY_ID = cpstr("label_entity_id"); cpstr CIFTAG_LABEL_SEQ_ID = cpstr("label_seq_id"); cpstr CIFTAG_LENGTH_A = cpstr("length_a"); cpstr CIFTAG_LENGTH_B = cpstr("length_b"); cpstr CIFTAG_LENGTH_C = cpstr("length_c"); cpstr CIFTAG_LS_D_RES_HIGH = cpstr("ls_d_res_high"); cpstr CIFTAG_MATRIX11 = cpstr("matrix[1][1]"); cpstr CIFTAG_MATRIX12 = cpstr("matrix[1][2]"); cpstr CIFTAG_MATRIX13 = cpstr("matrix[1][3]"); cpstr CIFTAG_MATRIX21 = cpstr("matrix[2][1]"); cpstr CIFTAG_MATRIX22 = cpstr("matrix[2][2]"); cpstr CIFTAG_MATRIX23 = cpstr("matrix[2][3]"); cpstr CIFTAG_MATRIX31 = cpstr("matrix[3][1]"); cpstr CIFTAG_MATRIX32 = cpstr("matrix[3][2]"); cpstr CIFTAG_MATRIX33 = cpstr("matrix[3][3]"); cpstr CIFTAG_METHOD = cpstr("method"); cpstr CIFTAG_MOD_TYPE = cpstr("mod_type"); cpstr CIFTAG_MON_ID = cpstr("mon_id"); cpstr CIFTAG_NAME = cpstr("name"); cpstr CIFTAG_NDB_BEG_LABEL_INS_CODE_PDB = cpstr("ndb_beg_label_ins_code_pdb"); cpstr CIFTAG_NDB_CHAIN_ID = cpstr("ndb_chain_id"); cpstr CIFTAG_NDB_COMPONENT_NO = cpstr("ndb_component_no"); cpstr CIFTAG_NDB_DESCRIPTOR = cpstr("ndb_descriptor"); cpstr CIFTAG_NDB_DB_ACCESSION = cpstr("ndb_db_accession"); cpstr CIFTAG_NDB_DB_ALIGN_BEG_INS_CODE = cpstr("ndb_db_align_beg_ins_code"); cpstr CIFTAG_NDB_DB_ALIGN_END_INS_CODE = cpstr("ndb_db_align_end_ins_code"); cpstr CIFTAG_NDB_END_LABEL_INS_CODE_PDB = cpstr("ndb_end_label_ins_code_pdb"); //cpstr CIFTAG_NDB_INS_CODE = cpstr("ndb_ins_code"); cpstr CIFTAG_PDBX_PDB_INS_CODE = cpstr("pdbx_PDB_ins_code"); cpstr CIFTAG_NDB_HELIX_CLASS_PDB = cpstr("ndb_helix_class_pdb"); cpstr CIFTAG_NDB_KEYWORDS = cpstr("ndb_keywords"); cpstr CIFTAG_NDB_LABEL_ALT_ID = cpstr("ndb_label_alt_id"); cpstr CIFTAG_NDB_LABEL_ATOM_ID = cpstr("ndb_label_atom_id"); cpstr CIFTAG_NDB_LABEL_ASYM_ID = cpstr("ndb_label_asym_id"); cpstr CIFTAG_NDB_LABEL_COMP_ID = cpstr("ndb_label_comp_id"); cpstr CIFTAG_NDB_LABEL_INS_CODE = cpstr("ndb_label_ins_code"); cpstr CIFTAG_NDB_LABEL_SEQ_NUM = cpstr("ndb_label_seq_num"); cpstr CIFTAG_NDB_LENGTH = cpstr("ndb_length"); cpstr CIFTAG_NDB_MODEL = cpstr("ndb_model"); cpstr CIFTAG_NDB_PDB_CHAIN_ID = cpstr("ndb_pdb_chain_id"); cpstr CIFTAG_NDB_PDB_ID = cpstr("ndb_pdb_id"); cpstr CIFTAG_NDB_PDB_ID_CODE = cpstr("ndb_pdb_id_code"); cpstr CIFTAG_NDB_PDB_INS_CODE = cpstr("ndb_pdb_ins_code"); cpstr CIFTAG_NDB_PTNR1_LABEL_INS_CODE = cpstr("ndb_ptnr1_label_ins_code"); cpstr CIFTAG_NDB_PTNR1_STANDARD_COMP_ID = cpstr("ndb_ptnr1_standard_comp_id"); cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_COMP_ID = cpstr("ndb_range_1_beg_label_comp_id"); cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_ASYM_ID = cpstr("ndb_range_1_beg_label_asym_id"); cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_INS_CODE= cpstr("ndb_range_1_beg_label_ins_code"); cpstr CIFTAG_NDB_RANGE_1_END_LABEL_COMP_ID = cpstr("ndb_range_1_end_label_comp_id"); cpstr CIFTAG_NDB_RANGE_1_END_LABEL_ASYM_ID = cpstr("ndb_range_1_end_label_asym_id"); cpstr CIFTAG_NDB_RANGE_1_END_LABEL_INS_CODE= cpstr("ndb_range_1_end_label_ins_code"); cpstr CIFTAG_NDB_SEQ_ALIGN_BEG = cpstr("ndb_seq_align_beg"); cpstr CIFTAG_NDB_SEQ_ALIGN_BEG_INS_CODE = cpstr("ndb_seq_align_beg_ins_code"); cpstr CIFTAG_NDB_SEQ_ALIGN_END = cpstr("ndb_seq_align_end"); cpstr CIFTAG_NDB_SEQ_ALIGN_END_INS_CODE = cpstr("ndb_seq_align_end_ins_code"); cpstr CIFTAG_NDB_SEQ_DB_NAME = cpstr("ndb_seq_db_name"); cpstr CIFTAG_NDB_SEQ_DB_ACCESSION_CODE = cpstr("ndb_seq_db_accession_code"); cpstr CIFTAG_NDB_SEQ_DB_SEQ_NUM = cpstr("ndb_seq_db_seq_num"); cpstr CIFTAG_NDB_SYNONYMS = cpstr("ndb_synonyms"); cpstr CIFTAG_NUM = cpstr("num"); cpstr CIFTAG_NUMBER_ATOMS_NH = cpstr("number_atoms_nh"); cpstr CIFTAG_NUMBER_STRANDS = cpstr("number_strands"); cpstr CIFTAG_OCCUPANCY = cpstr("occupancy"); cpstr CIFTAG_OCCUPANCY_ESD = cpstr("occupancy_esd"); cpstr CIFTAG_ORIGX11 = cpstr("origx[1][1]"); cpstr CIFTAG_ORIGX12 = cpstr("origx[1][2]"); cpstr CIFTAG_ORIGX13 = cpstr("origx[1][3]"); cpstr CIFTAG_ORIGX21 = cpstr("origx[2][1]"); cpstr CIFTAG_ORIGX22 = cpstr("origx[2][2]"); cpstr CIFTAG_ORIGX23 = cpstr("origx[2][3]"); cpstr CIFTAG_ORIGX31 = cpstr("origx[3][1]"); cpstr CIFTAG_ORIGX32 = cpstr("origx[3][2]"); cpstr CIFTAG_ORIGX33 = cpstr("origx[3][3]"); cpstr CIFTAG_ORIGX_VECTOR1 = cpstr("origx_vector[1]"); cpstr CIFTAG_ORIGX_VECTOR2 = cpstr("origx_vector[2]"); cpstr CIFTAG_ORIGX_VECTOR3 = cpstr("origx_vector[3]"); cpstr CIFTAG_PDB_ID = cpstr("pdb_id"); cpstr CIFTAG_PDB_MON_ID = cpstr("pdb_mon_id"); cpstr CIFTAG_PDB_STRAND_ID = cpstr("pdb_strand_id"); cpstr CIFTAG_PDBX_DB_ACCESSION = cpstr("pdbx_db_accession"); cpstr CIFTAG_PDBX_DB_ALIGN_BEG_INS_CODE = cpstr("pdbx_db_align_beg_ins_code"); cpstr CIFTAG_PDBX_DB_ALIGN_END_INS_CODE = cpstr("pdbx_db_align_end_ins_code"); cpstr CIFTAG_PDBX_PDB_ID_CODE = cpstr("pdbx_PDB_id_code"); cpstr CIFTAG_PDBX_PDB_MODEL_NUM = cpstr("pdbx_PDB_model_num"); cpstr CIFTAG_PDBX_STRAND_ID = cpstr("pdbx_strand_id"); cpstr CIFTAG_RANGE_1_BEG_LABEL_ATOM_ID = cpstr("range_1_beg_label_atom_id"); cpstr CIFTAG_RANGE_1_BEG_LABEL_SEQ_ID = cpstr("range_1_beg_label_seq_id"); cpstr CIFTAG_RANGE_1_END_LABEL_ATOM_ID = cpstr("range_1_end_label_atom_id"); cpstr CIFTAG_RANGE_1_END_LABEL_SEQ_ID = cpstr("range_1_end_label_seq_id"); cpstr CIFTAG_RANGE_ID_1 = cpstr("range_id_1"); cpstr CIFTAG_RANGE_ID_2 = cpstr("range_id_2"); cpstr CIFTAG_RCSB_RECORD_REVISED_1 = cpstr("rcsb_record_revised_1"); cpstr CIFTAG_RCSB_RECORD_REVISED_2 = cpstr("rcsb_record_revised_2"); cpstr CIFTAG_RCSB_RECORD_REVISED_3 = cpstr("rcsb_record_revised_3"); cpstr CIFTAG_RCSB_RECORD_REVISED_4 = cpstr("rcsb_record_revised_4"); cpstr CIFTAG_PDBX_SEQ_ALIGN_BEG_INS_CODE = cpstr("pdbx_seq_align_beg_ins_code"); cpstr CIFTAG_PDBX_SEQ_ALIGN_END_INS_CODE = cpstr("pdbx_seq_align_end_ins_code"); cpstr CIFTAG_PTNR1_LABEL_ASYM_ID = cpstr("ptnr1_label_asym_id"); cpstr CIFTAG_PTNR1_LABEL_COMP_ID = cpstr("ptnr1_label_comp_id"); cpstr CIFTAG_PTNR1_LABEL_SEQ_ID = cpstr("ptnr1_label_seq_id"); cpstr CIFTAG_REF_ID = cpstr("ref_id"); cpstr CIFTAG_REPLACES = cpstr("replaces"); cpstr CIFTAG_REPLACE_PDB_ID = cpstr("replace_pdb_id"); cpstr CIFTAG_SEGMENT_ID = cpstr("segment_id"); cpstr CIFTAG_SEQ_ALIGN_BEG = cpstr("seq_align_beg"); cpstr CIFTAG_SEQ_ALIGN_END = cpstr("seq_align_end"); cpstr CIFTAG_SEQ_NUM = cpstr("seq_num"); cpstr CIFTAG_SENSE = cpstr("sense"); cpstr CIFTAG_SHEET_ID = cpstr("sheet_id"); cpstr CIFTAG_SOURCE = cpstr("source"); cpstr CIFTAG_SPACE_GROUP_NAME_H_M = cpstr("space_group_name_H-M"); cpstr CIFTAG_TEXT = cpstr("text"); cpstr CIFTAG_TITLE = cpstr("title"); cpstr CIFTAG_TYPE = cpstr("type"); cpstr CIFTAG_TYPE_SYMBOL = cpstr("type_symbol"); cpstr CIFTAG_VECTOR1 = cpstr("vector[1]"); cpstr CIFTAG_VECTOR2 = cpstr("vector[2]"); cpstr CIFTAG_VECTOR3 = cpstr("vector[3]"); cpstr CIFTAG_U11 = cpstr("u[1][1]"); cpstr CIFTAG_U11_ESD = cpstr("u[1][1]_esd"); cpstr CIFTAG_U12 = cpstr("u[1][2]"); cpstr CIFTAG_U12_ESD = cpstr("u[1][2]_esd"); cpstr CIFTAG_U13 = cpstr("u[1][3]"); cpstr CIFTAG_U13_ESD = cpstr("u[1][3]_esd"); cpstr CIFTAG_U22 = cpstr("u[2][2]"); cpstr CIFTAG_U22_ESD = cpstr("u[2][2]_esd"); cpstr CIFTAG_U23 = cpstr("u[2][3]"); cpstr CIFTAG_U23_ESD = cpstr("u[2][3]_esd"); cpstr CIFTAG_U33 = cpstr("u[3][3]"); cpstr CIFTAG_U33_ESD = cpstr("u[3][3]_esd"); cpstr CIFTAG_Z_PDB = cpstr("z_pdb"); cpstr CIFTAG_CONN_PTNR1_AUTH_ATOM_ID = cpstr("ptnr1_auth_atom_id"); cpstr CIFTAG_CONN_PDBX_PTNR1_AUTH_ALT_ID = cpstr("pdbx_ptnr1_auth_alt_id"); cpstr CIFTAG_CONN_PTNR1_AUTH_COMP_ID = cpstr("ptnr1_auth_comp_id"); cpstr CIFTAG_CONN_PTNR1_AUTH_ASYM_ID = cpstr("ptnr1_auth_asym_id"); cpstr CIFTAG_CONN_PTNR1_AUTH_SEQ_ID = cpstr("ptnr1_auth_seq_id"); cpstr CIFTAG_CONN_PDBX_PTNR1_PDB_INS_CODE = cpstr("pdbx_ptnr1_PDB_ins_code"); cpstr CIFTAG_CONN_DIST = cpstr("link_dist"); cpstr CIFTAG_CONN_PTNR2_AUTH_ATOM_ID = cpstr("ptnr2_auth_atom_id"); cpstr CIFTAG_CONN_PDBX_PTNR2_AUTH_ALT_ID = cpstr("pdbx_ptnr2_auth_alt_id"); cpstr CIFTAG_CONN_PTNR2_AUTH_COMP_ID = cpstr("ptnr2_auth_comp_id"); cpstr CIFTAG_CONN_PTNR2_AUTH_ASYM_ID = cpstr("ptnr2_auth_asym_id"); cpstr CIFTAG_CONN_PTNR2_AUTH_SEQ_ID = cpstr("ptnr2_auth_seq_id"); cpstr CIFTAG_CONN_PDBX_PTNR2_PDB_INS_CODE = cpstr("pdbx_ptnr2_PDB_ins_code"); cpstr CIFTAG_CONN_PTNR1_SYMMETRY = cpstr("ptnr1_symmetry"); cpstr CIFTAG_CONN_PTNR2_SYMMETRY = cpstr("ptnr2_symmetry"); cpstr CIFTAG_CONN_NAME = cpstr("link_name"); } // namespace mmdb