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Diffstat (limited to 'mmdb2/mmdb_cifdefs.h')
| -rw-r--r-- | mmdb2/mmdb_cifdefs.h | 329 |
1 files changed, 329 insertions, 0 deletions
diff --git a/mmdb2/mmdb_cifdefs.h b/mmdb2/mmdb_cifdefs.h new file mode 100644 index 0000000..2185b85 --- /dev/null +++ b/mmdb2/mmdb_cifdefs.h @@ -0,0 +1,329 @@ +// $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 <interface> +// ~~~~~~~~~ +// **** 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 + |