// $Id: mmdb_cifdefs.h $ // ================================================================= // // 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 // // ================================================================= // #ifndef __MMDB_CIFDefs__ #define __MMDB_CIFDefs__ #include "mmdb_mattype.h" namespace mmdb { // ------------------------------------------------------------------ // Mode IDs enum CIF_MODE { CIF_NDB = 0, CIF_PDBX = 1 }; // CIF IDs for mode-dependent CIF names enum CIF_ID { CAT_POLY_SEQ_SCHEME = 1, TAG_CHAIN_ID = 101, TAG_DB_ACCESSION = 102, TAG_DB_ALIGN_BEG = 103, TAG_DB_ALIGN_BEG_INS_CODE = 104, TAG_DB_ALIGN_END = 105, TAG_DB_ALIGN_END_INS_CODE = 106, TAG_ID_CODE = 107, TAG_SEQ_CHAIN_ID = 108, TAG_SEQ_ALIGN_BEG = 109, TAG_SEQ_ALIGN_BEG_INS_CODE = 110, TAG_SEQ_ALIGN_END = 111, TAG_SEQ_ALIGN_END_INS_CODE = 112 }; // CIFName(..) gives CIF name according to CIF Mode. extern cpstr CIFName ( int NameID, CIF_MODE Mode ); // ------------------------------------------------------------------ extern cpstr CIFCAT_ATOM_SITE ; extern cpstr CIFCAT_ATOM_SITE_ANISOTROP ; extern cpstr CIFCAT_ATOM_SITES ; extern cpstr CIFCAT_AUDIT_AUTHOR ; extern cpstr CIFCAT_CELL ; extern cpstr CIFCAT_CHEM_COMP ; extern cpstr CIFCAT_CITATION ; extern cpstr CIFCAT_DATABASE ; extern cpstr CIFCAT_DATABASE_PDB_CAVEAT ; extern cpstr CIFCAT_DATABASE_PDB_MATRIX ; extern cpstr CIFCAT_DATABASE_PDB_REV ; extern cpstr CIFCAT_DATABASE_PDB_TVECT ; extern cpstr CIFCAT_ENTITY ; extern cpstr CIFCAT_EXPTL ; extern cpstr CIFCAT_NDB_DATABASE_REMARK ; extern cpstr CIFCAT_NDB_NONSTANDARD_LIST ; extern cpstr CIFCAT_NDB_POLY_SEQ_SCHEME ; extern cpstr CIFCAT_PDBX_POLY_SEQ_SCHEME ; extern cpstr CIFCAT_REFINE ; extern cpstr CIFCAT_SPRSDE ; extern cpstr CIFCAT_STRUCT ; extern cpstr CIFCAT_STRUCT_ASYM ; extern cpstr CIFCAT_STRUCT_CONF ; extern cpstr CIFCAT_STRUCT_CONN ; extern cpstr CIFCAT_STRUCT_LINKR ; extern cpstr CIFCAT_STRUCT_KEYWORDS ; extern cpstr CIFCAT_STRUCT_NCS_OPER ; extern cpstr CIFCAT_STRUCT_REF ; extern cpstr CIFCAT_STRUCT_REF_SEQ ; extern cpstr CIFCAT_STRUCT_REF_SEQ_DIF ; extern cpstr CIFCAT_STRUCT_SHEET ; extern cpstr CIFCAT_STRUCT_SHEET_RANGE ; extern cpstr CIFCAT_STRUCT_SHEET_ORDER ; extern cpstr CIFCAT_STRUCT_SHEET_HBOND ; extern cpstr CIFCAT_SYMMETRY ; extern cpstr CIFCAT_OBSLTE ; extern cpstr CIFTAG_ANGLE_ALPHA ; extern cpstr CIFTAG_ANGLE_BETA ; extern cpstr CIFTAG_ANGLE_GAMMA ; extern cpstr CIFTAG_ASYM_ID ; extern cpstr CIFTAG_ATOM_TYPE_SYMBOL ; extern cpstr CIFTAG_AUTH_ASYM_ID ; extern cpstr CIFTAG_AUTH_ATOM_ID ; extern cpstr CIFTAG_AUTH_COMP_ID ; extern cpstr CIFTAG_AUTH_SEQ_ID ; extern cpstr CIFTAG_B_ISO_OR_EQUIV ; extern cpstr CIFTAG_B_ISO_OR_EQUIV_ESD ; extern cpstr CIFTAG_BEG_LABEL_ASYM_ID ; extern cpstr CIFTAG_BEG_LABEL_COMP_ID ; extern cpstr CIFTAG_BEG_LABEL_SEQ_ID ; extern cpstr CIFTAG_CARTN_X ; extern cpstr CIFTAG_CARTN_X_ESD ; extern cpstr CIFTAG_CARTN_Y ; extern cpstr CIFTAG_CARTN_Y_ESD ; extern cpstr CIFTAG_CARTN_Z ; extern cpstr CIFTAG_CARTN_Z_ESD ; extern cpstr CIFTAG_PDBX_FORMAL_CHARGE ; extern cpstr CIFTAG_CODE ; extern cpstr CIFTAG_CODE_NDB ; extern cpstr CIFTAG_CODE_PDB ; extern cpstr CIFTAG_CONF_TYPE_ID ; extern cpstr CIFTAG_CONN_TYPE_ID ; extern cpstr CIFTAG_DATE ; extern cpstr CIFTAG_DATE_ORIGINAL ; extern cpstr CIFTAG_DB_ALIGN_BEG ; extern cpstr CIFTAG_DB_ALIGN_END ; extern cpstr CIFTAG_DB_CODE ; extern cpstr CIFTAG_DB_MON_ID ; extern cpstr CIFTAG_DB_NAME ; extern cpstr CIFTAG_DETAILS ; extern cpstr CIFTAG_END_LABEL_ASYM_ID ; extern cpstr CIFTAG_END_LABEL_COMP_ID ; extern cpstr CIFTAG_END_LABEL_SEQ_ID ; extern cpstr CIFTAG_ENTITY_ID ; extern cpstr CIFTAG_ENTRY_ID ; extern cpstr CIFTAG_FORMULA ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX11 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX12 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX13 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX21 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX22 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX23 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX31 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX32 ; extern cpstr CIFTAG_FRACT_TRANSF_MATRIX33 ; extern cpstr CIFTAG_FRACT_TRANSF_VECTOR1 ; extern cpstr CIFTAG_FRACT_TRANSF_VECTOR2 ; extern cpstr CIFTAG_FRACT_TRANSF_VECTOR3 ; extern cpstr CIFTAG_GROUP_PDB ; extern cpstr CIFTAG_ID ; extern cpstr CIFTAG_INS_CODE ; extern cpstr CIFTAG_LABEL_ALT_ID ; extern cpstr CIFTAG_LABEL_ATOM_ID ; extern cpstr CIFTAG_LABEL_ASYM_ID ; extern cpstr CIFTAG_LABEL_COMP_ID ; extern cpstr CIFTAG_LABEL_ENTITY_ID ; extern cpstr CIFTAG_LABEL_SEQ_ID ; extern cpstr CIFTAG_LENGTH_A ; extern cpstr CIFTAG_LENGTH_B ; extern cpstr CIFTAG_LENGTH_C ; extern cpstr CIFTAG_LS_D_RES_HIGH ; extern cpstr CIFTAG_MATRIX11 ; extern cpstr CIFTAG_MATRIX12 ; extern cpstr CIFTAG_MATRIX13 ; extern cpstr CIFTAG_MATRIX21 ; extern cpstr CIFTAG_MATRIX22 ; extern cpstr CIFTAG_MATRIX23 ; extern cpstr CIFTAG_MATRIX31 ; extern cpstr CIFTAG_MATRIX32 ; extern cpstr CIFTAG_MATRIX33 ; extern cpstr CIFTAG_METHOD ; extern cpstr CIFTAG_MOD_TYPE ; extern cpstr CIFTAG_MON_ID ; extern cpstr CIFTAG_NAME ; extern cpstr CIFTAG_NDB_BEG_LABEL_INS_CODE_PDB ; extern cpstr CIFTAG_NDB_CHAIN_ID ; extern cpstr CIFTAG_NDB_COMPONENT_NO ; extern cpstr CIFTAG_NDB_DESCRIPTOR ; extern cpstr CIFTAG_NDB_DB_ACCESSION ; extern cpstr CIFTAG_NDB_DB_ALIGN_BEG_INS_CODE ; extern cpstr CIFTAG_NDB_DB_ALIGN_END_INS_CODE ; extern cpstr CIFTAG_NDB_END_LABEL_INS_CODE_PDB ; extern cpstr CIFTAG_PDBX_PDB_INS_CODE ; extern cpstr CIFTAG_NDB_HELIX_CLASS_PDB ; extern cpstr CIFTAG_NDB_KEYWORDS ; extern cpstr CIFTAG_NDB_LABEL_ALT_ID ; extern cpstr CIFTAG_NDB_LABEL_ATOM_ID ; extern cpstr CIFTAG_NDB_LABEL_ASYM_ID ; extern cpstr CIFTAG_NDB_LABEL_COMP_ID ; extern cpstr CIFTAG_NDB_LABEL_INS_CODE ; extern cpstr CIFTAG_NDB_LABEL_SEQ_NUM ; extern cpstr CIFTAG_NDB_LENGTH ; extern cpstr CIFTAG_NDB_MODEL ; extern cpstr CIFTAG_NDB_PDB_CHAIN_ID ; extern cpstr CIFTAG_NDB_PDB_ID ; extern cpstr CIFTAG_NDB_PDB_ID_CODE ; extern cpstr CIFTAG_NDB_PDB_INS_CODE ; extern cpstr CIFTAG_NDB_PTNR1_LABEL_INS_CODE ; extern cpstr CIFTAG_NDB_PTNR1_STANDARD_COMP_ID ; extern cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_COMP_ID ; extern cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_ASYM_ID ; extern cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_INS_CODE; extern cpstr CIFTAG_NDB_RANGE_1_END_LABEL_COMP_ID ; extern cpstr CIFTAG_NDB_RANGE_1_END_LABEL_ASYM_ID ; extern cpstr CIFTAG_NDB_RANGE_1_END_LABEL_INS_CODE; extern cpstr CIFTAG_NDB_SEQ_ALIGN_BEG ; extern cpstr CIFTAG_NDB_SEQ_ALIGN_BEG_INS_CODE ; extern cpstr CIFTAG_NDB_SEQ_ALIGN_END ; extern cpstr CIFTAG_NDB_SEQ_ALIGN_END_INS_CODE ; extern cpstr CIFTAG_NDB_SEQ_DB_NAME ; extern cpstr CIFTAG_NDB_SEQ_DB_ACCESSION_CODE ; extern cpstr CIFTAG_NDB_SEQ_DB_SEQ_NUM ; extern cpstr CIFTAG_NDB_SYNONYMS ; extern cpstr CIFTAG_NUM ; extern cpstr CIFTAG_NUMBER_ATOMS_NH ; extern cpstr CIFTAG_NUMBER_STRANDS ; extern cpstr CIFTAG_OCCUPANCY ; extern cpstr CIFTAG_OCCUPANCY_ESD ; extern cpstr CIFTAG_ORIGX11 ; extern cpstr CIFTAG_ORIGX12 ; extern cpstr CIFTAG_ORIGX13 ; extern cpstr CIFTAG_ORIGX21 ; extern cpstr CIFTAG_ORIGX22 ; extern cpstr CIFTAG_ORIGX23 ; extern cpstr CIFTAG_ORIGX31 ; extern cpstr CIFTAG_ORIGX32 ; extern cpstr CIFTAG_ORIGX33 ; extern cpstr CIFTAG_ORIGX_VECTOR1 ; extern cpstr CIFTAG_ORIGX_VECTOR2 ; extern cpstr CIFTAG_ORIGX_VECTOR3 ; extern cpstr CIFTAG_PDB_ID ; extern cpstr CIFTAG_PDB_MON_ID ; extern cpstr CIFTAG_PDB_STRAND_ID ; extern cpstr CIFTAG_PDBX_DB_ACCESSION ; extern cpstr CIFTAG_PDBX_DB_ALIGN_BEG_INS_CODE ; extern cpstr CIFTAG_PDBX_DB_ALIGN_END_INS_CODE ; extern cpstr CIFTAG_PDBX_PDB_ID_CODE ; extern cpstr CIFTAG_PDBX_PDB_MODEL_NUM ; extern cpstr CIFTAG_PDBX_STRAND_ID ; extern cpstr CIFTAG_RANGE_1_BEG_LABEL_ATOM_ID ; extern cpstr CIFTAG_RANGE_1_BEG_LABEL_SEQ_ID ; extern cpstr CIFTAG_RANGE_1_END_LABEL_ATOM_ID ; extern cpstr CIFTAG_RANGE_1_END_LABEL_SEQ_ID ; extern cpstr CIFTAG_RANGE_ID_1 ; extern cpstr CIFTAG_RANGE_ID_2 ; extern cpstr CIFTAG_RCSB_RECORD_REVISED_1 ; extern cpstr CIFTAG_RCSB_RECORD_REVISED_2 ; extern cpstr CIFTAG_RCSB_RECORD_REVISED_3 ; extern cpstr CIFTAG_RCSB_RECORD_REVISED_4 ; extern cpstr CIFTAG_PDBX_SEQ_ALIGN_BEG_INS_CODE ; extern cpstr CIFTAG_PDBX_SEQ_ALIGN_END_INS_CODE ; extern cpstr CIFTAG_PTNR1_LABEL_ASYM_ID ; extern cpstr CIFTAG_PTNR1_LABEL_COMP_ID ; extern cpstr CIFTAG_PTNR1_LABEL_SEQ_ID ; extern cpstr CIFTAG_REF_ID ; extern cpstr CIFTAG_REPLACES ; extern cpstr CIFTAG_REPLACE_PDB_ID ; extern cpstr CIFTAG_SEGMENT_ID ; extern cpstr CIFTAG_SEQ_ALIGN_BEG ; extern cpstr CIFTAG_SEQ_ALIGN_END ; extern cpstr CIFTAG_SEQ_NUM ; extern cpstr CIFTAG_SENSE ; extern cpstr CIFTAG_SHEET_ID ; extern cpstr CIFTAG_SOURCE ; extern cpstr CIFTAG_SPACE_GROUP_NAME_H_M ; extern cpstr CIFTAG_TEXT ; extern cpstr CIFTAG_TITLE ; extern cpstr CIFTAG_TYPE ; extern cpstr CIFTAG_TYPE_SYMBOL ; extern cpstr CIFTAG_VECTOR1 ; extern cpstr CIFTAG_VECTOR2 ; extern cpstr CIFTAG_VECTOR3 ; extern cpstr CIFTAG_U11 ; extern cpstr CIFTAG_U11_ESD ; extern cpstr CIFTAG_U12 ; extern cpstr CIFTAG_U12_ESD ; extern cpstr CIFTAG_U13 ; extern cpstr CIFTAG_U13_ESD ; extern cpstr CIFTAG_U22 ; extern cpstr CIFTAG_U22_ESD ; extern cpstr CIFTAG_U23 ; extern cpstr CIFTAG_U23_ESD ; extern cpstr CIFTAG_U33 ; extern cpstr CIFTAG_U33_ESD ; extern cpstr CIFTAG_Z_PDB ; extern cpstr CIFTAG_CONN_PTNR1_AUTH_ATOM_ID ; extern cpstr CIFTAG_CONN_PDBX_PTNR1_AUTH_ALT_ID ; extern cpstr CIFTAG_CONN_PTNR1_AUTH_COMP_ID ; extern cpstr CIFTAG_CONN_PTNR1_AUTH_ASYM_ID ; extern cpstr CIFTAG_CONN_PTNR1_AUTH_SEQ_ID ; extern cpstr CIFTAG_CONN_PDBX_PTNR1_PDB_INS_CODE ; extern cpstr CIFTAG_CONN_DIST ; extern cpstr CIFTAG_CONN_PTNR2_AUTH_ATOM_ID ; extern cpstr CIFTAG_CONN_PDBX_PTNR2_AUTH_ALT_ID ; extern cpstr CIFTAG_CONN_PTNR2_AUTH_COMP_ID ; extern cpstr CIFTAG_CONN_PTNR2_AUTH_ASYM_ID ; extern cpstr CIFTAG_CONN_PTNR2_AUTH_SEQ_ID ; extern cpstr CIFTAG_CONN_PDBX_PTNR2_PDB_INS_CODE ; extern cpstr CIFTAG_CONN_PTNR1_SYMMETRY ; extern cpstr CIFTAG_CONN_PTNR2_SYMMETRY ; extern cpstr CIFTAG_CONN_NAME ; } // namespace mmdb #endif