MMDB Coordinate Library: src/mmdb

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00001 //  $Id: mmdb_cifdefs.h $
00002 //  =================================================================
00003 //
00004 //   CCP4 Coordinate Library: support of coordinate-related
00005 //   functionality in protein crystallography applications.
00006 //
00007 //   Copyright (C) Eugene Krissinel 2000-2013.
00008 //
00009 //    This library is free software: you can redistribute it and/or
00010 //    modify it under the terms of the GNU Lesser General Public
00011 //    License version 3, modified in accordance with the provisions
00012 //    of the license to address the requirements of UK law.
00013 //
00014 //    You should have received a copy of the modified GNU Lesser
00015 //    General Public License along with this library. If not, copies
00016 //    may be downloaded from http://www.ccp4.ac.uk/ccp4license.php
00017 //
00018 //    This program is distributed in the hope that it will be useful,
00019 //    but WITHOUT ANY WARRANTY; without even the implied warranty of
00020 //    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00021 //    GNU Lesser General Public License for more details.
00022 //
00023 //  =================================================================
00024 //
00025 //    12.09.13   <--  Date of Last Modification.
00026 //                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~
00027 //  -----------------------------------------------------------------
00028 //
00029 //  **** Module  :   MMDBF_Defs <interface>
00030 //       ~~~~~~~~~
00031 //  **** Project :   MacroMolecular Data Base (MMDB)
00032 //       ~~~~~~~~~
00033 //  **** Namespace:  mmdb::
00034 //
00035 //      CIF Definitions
00036 //
00037 //  (C) E. Krissinel 2000-2013
00038 //
00039 //  =================================================================
00040 //
00041 
00042 #ifndef __MMDB_CIFDefs__
00043 #define __MMDB_CIFDefs__
00044 
00045 #include "mmdb_mattype.h"
00046 
00047 namespace mmdb  {
00048 
00049   // ------------------------------------------------------------------
00050 
00051   //  Mode IDs
00052 
00053   enum CIF_MODE  {
00054     CIF_NDB  = 0,
00055     CIF_PDBX = 1
00056   };
00057 
00058   //  CIF IDs for mode-dependent CIF names
00059 
00060   enum CIF_ID  {
00061     CAT_POLY_SEQ_SCHEME        =   1,
00062     TAG_CHAIN_ID               = 101,
00063     TAG_DB_ACCESSION           = 102,
00064     TAG_DB_ALIGN_BEG           = 103,
00065     TAG_DB_ALIGN_BEG_INS_CODE  = 104,
00066     TAG_DB_ALIGN_END           = 105,
00067     TAG_DB_ALIGN_END_INS_CODE  = 106,
00068     TAG_ID_CODE                = 107,
00069     TAG_SEQ_CHAIN_ID           = 108,
00070     TAG_SEQ_ALIGN_BEG          = 109,
00071     TAG_SEQ_ALIGN_BEG_INS_CODE = 110,
00072     TAG_SEQ_ALIGN_END          = 111,
00073     TAG_SEQ_ALIGN_END_INS_CODE = 112
00074   };
00075 
00076   //  CIFName(..) gives CIF name according to CIF Mode.
00077   extern cpstr CIFName ( int NameID, CIF_MODE Mode );
00078 
00079   // ------------------------------------------------------------------
00080 
00081   extern cpstr CIFCAT_ATOM_SITE                  ;
00082   extern cpstr CIFCAT_ATOM_SITE_ANISOTROP        ;
00083   extern cpstr CIFCAT_ATOM_SITES                 ;
00084   extern cpstr CIFCAT_AUDIT_AUTHOR               ;
00085   extern cpstr CIFCAT_CELL                       ;
00086   extern cpstr CIFCAT_CHEM_COMP                  ;
00087   extern cpstr CIFCAT_CITATION                   ;
00088   extern cpstr CIFCAT_DATABASE                   ;
00089   extern cpstr CIFCAT_DATABASE_PDB_CAVEAT        ;
00090   extern cpstr CIFCAT_DATABASE_PDB_MATRIX        ;
00091   extern cpstr CIFCAT_DATABASE_PDB_REV           ;
00092   extern cpstr CIFCAT_DATABASE_PDB_TVECT         ;
00093   extern cpstr CIFCAT_ENTITY                     ;
00094   extern cpstr CIFCAT_EXPTL                      ;
00095   extern cpstr CIFCAT_NDB_DATABASE_REMARK        ;
00096   extern cpstr CIFCAT_NDB_NONSTANDARD_LIST       ;
00097   extern cpstr CIFCAT_NDB_POLY_SEQ_SCHEME        ;
00098   extern cpstr CIFCAT_PDBX_POLY_SEQ_SCHEME       ;
00099   extern cpstr CIFCAT_SPRSDE                     ;
00100   extern cpstr CIFCAT_STRUCT                     ;
00101   extern cpstr CIFCAT_STRUCT_ASYM                ;
00102   extern cpstr CIFCAT_STRUCT_CONF                ;
00103   extern cpstr CIFCAT_STRUCT_CONN                ;
00104   extern cpstr CIFCAT_STRUCT_LINKR               ;
00105   extern cpstr CIFCAT_STRUCT_KEYWORDS            ;
00106   extern cpstr CIFCAT_STRUCT_NCS_OPER            ;
00107   extern cpstr CIFCAT_STRUCT_REF                 ;
00108   extern cpstr CIFCAT_STRUCT_REF_SEQ             ;
00109   extern cpstr CIFCAT_STRUCT_REF_SEQ_DIF         ;
00110   extern cpstr CIFCAT_STRUCT_SHEET               ;
00111   extern cpstr CIFCAT_STRUCT_SHEET_RANGE         ;
00112   extern cpstr CIFCAT_STRUCT_SHEET_ORDER         ;
00113   extern cpstr CIFCAT_STRUCT_SHEET_HBOND         ;
00114   extern cpstr CIFCAT_SYMMETRY                   ;
00115   extern cpstr CIFCAT_OBSLTE                     ;
00116 
00117 
00118   extern cpstr CIFTAG_ANGLE_ALPHA                   ;
00119   extern cpstr CIFTAG_ANGLE_BETA                    ;
00120   extern cpstr CIFTAG_ANGLE_GAMMA                   ;
00121   extern cpstr CIFTAG_ASYM_ID                       ;
00122   extern cpstr CIFTAG_ATOM_TYPE_SYMBOL              ;
00123   extern cpstr CIFTAG_AUTH_ASYM_ID                  ;
00124   extern cpstr CIFTAG_AUTH_ATOM_ID                  ;
00125   extern cpstr CIFTAG_AUTH_COMP_ID                  ;
00126   extern cpstr CIFTAG_AUTH_SEQ_ID                   ;
00127   extern cpstr CIFTAG_B_ISO_OR_EQUIV                ;
00128   extern cpstr CIFTAG_B_ISO_OR_EQUIV_ESD            ;
00129   extern cpstr CIFTAG_BEG_LABEL_ASYM_ID             ;
00130   extern cpstr CIFTAG_BEG_LABEL_COMP_ID             ;
00131   extern cpstr CIFTAG_BEG_LABEL_SEQ_ID              ;
00132   extern cpstr CIFTAG_CARTN_X                       ;
00133   extern cpstr CIFTAG_CARTN_X_ESD                   ;
00134   extern cpstr CIFTAG_CARTN_Y                       ;
00135   extern cpstr CIFTAG_CARTN_Y_ESD                   ;
00136   extern cpstr CIFTAG_CARTN_Z                       ;
00137   extern cpstr CIFTAG_CARTN_Z_ESD                   ;
00138   extern cpstr CIFTAG_PDBX_FORMAL_CHARGE            ;
00139   extern cpstr CIFTAG_CODE                          ;
00140   extern cpstr CIFTAG_CODE_NDB                      ;
00141   extern cpstr CIFTAG_CODE_PDB                      ;
00142   extern cpstr CIFTAG_CONF_TYPE_ID                  ;
00143   extern cpstr CIFTAG_CONN_TYPE_ID                  ;
00144   extern cpstr CIFTAG_DATE                          ;
00145   extern cpstr CIFTAG_DATE_ORIGINAL                 ;
00146   extern cpstr CIFTAG_DB_ALIGN_BEG                  ;
00147   extern cpstr CIFTAG_DB_ALIGN_END                  ;
00148   extern cpstr CIFTAG_DB_CODE                       ;
00149   extern cpstr CIFTAG_DB_MON_ID                     ;
00150   extern cpstr CIFTAG_DB_NAME                       ;
00151   extern cpstr CIFTAG_DETAILS                       ;
00152   extern cpstr CIFTAG_END_LABEL_ASYM_ID             ;
00153   extern cpstr CIFTAG_END_LABEL_COMP_ID             ;
00154   extern cpstr CIFTAG_END_LABEL_SEQ_ID              ;
00155   extern cpstr CIFTAG_ENTITY_ID                     ;
00156   extern cpstr CIFTAG_ENTRY_ID                      ;
00157   extern cpstr CIFTAG_FORMULA                       ;
00158   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX11         ;
00159   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX12         ;
00160   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX13         ;
00161   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX21         ;
00162   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX22         ;
00163   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX23         ;
00164   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX31         ;
00165   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX32         ;
00166   extern cpstr CIFTAG_FRACT_TRANSF_MATRIX33         ;
00167   extern cpstr CIFTAG_FRACT_TRANSF_VECTOR1          ;
00168   extern cpstr CIFTAG_FRACT_TRANSF_VECTOR2          ;
00169   extern cpstr CIFTAG_FRACT_TRANSF_VECTOR3          ;
00170   extern cpstr CIFTAG_GROUP_PDB                     ;
00171   extern cpstr CIFTAG_ID                            ;
00172   extern cpstr CIFTAG_INS_CODE                      ;
00173   extern cpstr CIFTAG_LABEL_ALT_ID                  ;
00174   extern cpstr CIFTAG_LABEL_ATOM_ID                 ;
00175   extern cpstr CIFTAG_LABEL_ASYM_ID                 ;
00176   extern cpstr CIFTAG_LABEL_COMP_ID                 ;
00177   extern cpstr CIFTAG_LABEL_ENTITY_ID               ;
00178   extern cpstr CIFTAG_LABEL_SEQ_ID                  ;
00179   extern cpstr CIFTAG_LENGTH_A                      ;
00180   extern cpstr CIFTAG_LENGTH_B                      ;
00181   extern cpstr CIFTAG_LENGTH_C                      ;
00182   extern cpstr CIFTAG_MATRIX11                      ;
00183   extern cpstr CIFTAG_MATRIX12                      ;
00184   extern cpstr CIFTAG_MATRIX13                      ;
00185   extern cpstr CIFTAG_MATRIX21                      ;
00186   extern cpstr CIFTAG_MATRIX22                      ;
00187   extern cpstr CIFTAG_MATRIX23                      ;
00188   extern cpstr CIFTAG_MATRIX31                      ;
00189   extern cpstr CIFTAG_MATRIX32                      ;
00190   extern cpstr CIFTAG_MATRIX33                      ;
00191   extern cpstr CIFTAG_METHOD                        ;
00192   extern cpstr CIFTAG_MOD_TYPE                      ;
00193   extern cpstr CIFTAG_MON_ID                        ;
00194   extern cpstr CIFTAG_NAME                          ;
00195   extern cpstr CIFTAG_NDB_BEG_LABEL_INS_CODE_PDB    ;
00196   extern cpstr CIFTAG_NDB_CHAIN_ID                  ;
00197   extern cpstr CIFTAG_NDB_COMPONENT_NO              ;
00198   extern cpstr CIFTAG_NDB_DESCRIPTOR                ;
00199   extern cpstr CIFTAG_NDB_DB_ACCESSION              ;
00200   extern cpstr CIFTAG_NDB_DB_ALIGN_BEG_INS_CODE     ;
00201   extern cpstr CIFTAG_NDB_DB_ALIGN_END_INS_CODE     ;
00202   extern cpstr CIFTAG_NDB_END_LABEL_INS_CODE_PDB    ;
00203   extern cpstr CIFTAG_PDBX_PDB_INS_CODE             ;
00204   extern cpstr CIFTAG_NDB_HELIX_CLASS_PDB           ;
00205   extern cpstr CIFTAG_NDB_KEYWORDS                  ;
00206   extern cpstr CIFTAG_NDB_LABEL_ALT_ID              ;
00207   extern cpstr CIFTAG_NDB_LABEL_ATOM_ID             ;
00208   extern cpstr CIFTAG_NDB_LABEL_ASYM_ID             ;
00209   extern cpstr CIFTAG_NDB_LABEL_COMP_ID             ;
00210   extern cpstr CIFTAG_NDB_LABEL_INS_CODE            ;
00211   extern cpstr CIFTAG_NDB_LABEL_SEQ_NUM             ;
00212   extern cpstr CIFTAG_NDB_LENGTH                    ;
00213   extern cpstr CIFTAG_NDB_MODEL                     ;
00214   extern cpstr CIFTAG_NDB_PDB_CHAIN_ID              ;
00215   extern cpstr CIFTAG_NDB_PDB_ID                    ;
00216   extern cpstr CIFTAG_NDB_PDB_ID_CODE               ;
00217   extern cpstr CIFTAG_NDB_PDB_INS_CODE              ;
00218   extern cpstr CIFTAG_NDB_PTNR1_LABEL_INS_CODE      ;
00219   extern cpstr CIFTAG_NDB_PTNR1_STANDARD_COMP_ID    ;
00220   extern cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_COMP_ID ;
00221   extern cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_ASYM_ID ;
00222   extern cpstr CIFTAG_NDB_RANGE_1_BEG_LABEL_INS_CODE;
00223   extern cpstr CIFTAG_NDB_RANGE_1_END_LABEL_COMP_ID ;
00224   extern cpstr CIFTAG_NDB_RANGE_1_END_LABEL_ASYM_ID ;
00225   extern cpstr CIFTAG_NDB_RANGE_1_END_LABEL_INS_CODE;
00226   extern cpstr CIFTAG_NDB_SEQ_ALIGN_BEG             ;
00227   extern cpstr CIFTAG_NDB_SEQ_ALIGN_BEG_INS_CODE    ;
00228   extern cpstr CIFTAG_NDB_SEQ_ALIGN_END             ;
00229   extern cpstr CIFTAG_NDB_SEQ_ALIGN_END_INS_CODE    ;
00230   extern cpstr CIFTAG_NDB_SEQ_DB_NAME               ;
00231   extern cpstr CIFTAG_NDB_SEQ_DB_ACCESSION_CODE     ;
00232   extern cpstr CIFTAG_NDB_SEQ_DB_SEQ_NUM            ;
00233   extern cpstr CIFTAG_NDB_SYNONYMS                  ;
00234   extern cpstr CIFTAG_NUM                           ;
00235   extern cpstr CIFTAG_NUMBER_ATOMS_NH               ;
00236   extern cpstr CIFTAG_NUMBER_STRANDS                ;
00237   extern cpstr CIFTAG_OCCUPANCY                     ;
00238   extern cpstr CIFTAG_OCCUPANCY_ESD                 ;
00239   extern cpstr CIFTAG_ORIGX11                       ;
00240   extern cpstr CIFTAG_ORIGX12                       ;
00241   extern cpstr CIFTAG_ORIGX13                       ;
00242   extern cpstr CIFTAG_ORIGX21                       ;
00243   extern cpstr CIFTAG_ORIGX22                       ;
00244   extern cpstr CIFTAG_ORIGX23                       ;
00245   extern cpstr CIFTAG_ORIGX31                       ;
00246   extern cpstr CIFTAG_ORIGX32                       ;
00247   extern cpstr CIFTAG_ORIGX33                       ;
00248   extern cpstr CIFTAG_ORIGX_VECTOR1                 ;
00249   extern cpstr CIFTAG_ORIGX_VECTOR2                 ;
00250   extern cpstr CIFTAG_ORIGX_VECTOR3                 ;
00251   extern cpstr CIFTAG_PDB_ID                        ;
00252   extern cpstr CIFTAG_PDB_MON_ID                    ;
00253   extern cpstr CIFTAG_PDB_STRAND_ID                 ;
00254   extern cpstr CIFTAG_PDBX_DB_ACCESSION             ;
00255   extern cpstr CIFTAG_PDBX_DB_ALIGN_BEG_INS_CODE    ;
00256   extern cpstr CIFTAG_PDBX_DB_ALIGN_END_INS_CODE    ;
00257   extern cpstr CIFTAG_PDBX_PDB_ID_CODE              ;
00258   extern cpstr CIFTAG_PDBX_PDB_MODEL_NUM            ;
00259   extern cpstr CIFTAG_PDBX_STRAND_ID                ;
00260   extern cpstr CIFTAG_RANGE_1_BEG_LABEL_ATOM_ID     ;
00261   extern cpstr CIFTAG_RANGE_1_BEG_LABEL_SEQ_ID      ;
00262   extern cpstr CIFTAG_RANGE_1_END_LABEL_ATOM_ID     ;
00263   extern cpstr CIFTAG_RANGE_1_END_LABEL_SEQ_ID      ;
00264   extern cpstr CIFTAG_RANGE_ID_1                    ;
00265   extern cpstr CIFTAG_RANGE_ID_2                    ;
00266   extern cpstr CIFTAG_RCSB_RECORD_REVISED_1         ;
00267   extern cpstr CIFTAG_RCSB_RECORD_REVISED_2         ;
00268   extern cpstr CIFTAG_RCSB_RECORD_REVISED_3         ;
00269   extern cpstr CIFTAG_RCSB_RECORD_REVISED_4         ;
00270   extern cpstr CIFTAG_PDBX_SEQ_ALIGN_BEG_INS_CODE   ;
00271   extern cpstr CIFTAG_PDBX_SEQ_ALIGN_END_INS_CODE   ;
00272   extern cpstr CIFTAG_PTNR1_LABEL_ASYM_ID           ;
00273   extern cpstr CIFTAG_PTNR1_LABEL_COMP_ID           ;
00274   extern cpstr CIFTAG_PTNR1_LABEL_SEQ_ID            ;
00275   extern cpstr CIFTAG_REF_ID                        ;
00276   extern cpstr CIFTAG_REPLACES                      ;
00277   extern cpstr CIFTAG_REPLACE_PDB_ID                ;
00278   extern cpstr CIFTAG_SEGMENT_ID                    ;
00279   extern cpstr CIFTAG_SEQ_ALIGN_BEG                 ;
00280   extern cpstr CIFTAG_SEQ_ALIGN_END                 ;
00281   extern cpstr CIFTAG_SEQ_NUM                       ;
00282   extern cpstr CIFTAG_SENSE                         ;
00283   extern cpstr CIFTAG_SHEET_ID                      ;
00284   extern cpstr CIFTAG_SOURCE                        ;
00285   extern cpstr CIFTAG_SPACE_GROUP_NAME_H_M          ;
00286   extern cpstr CIFTAG_TEXT                          ;
00287   extern cpstr CIFTAG_TITLE                         ;
00288   extern cpstr CIFTAG_TYPE                          ;
00289   extern cpstr CIFTAG_TYPE_SYMBOL                   ;
00290   extern cpstr CIFTAG_VECTOR1                       ;
00291   extern cpstr CIFTAG_VECTOR2                       ;
00292   extern cpstr CIFTAG_VECTOR3                       ;
00293   extern cpstr CIFTAG_U11                           ;
00294   extern cpstr CIFTAG_U11_ESD                       ;
00295   extern cpstr CIFTAG_U12                           ;
00296   extern cpstr CIFTAG_U12_ESD                       ;
00297   extern cpstr CIFTAG_U13                           ;
00298   extern cpstr CIFTAG_U13_ESD                       ;
00299   extern cpstr CIFTAG_U22                           ;
00300   extern cpstr CIFTAG_U22_ESD                       ;
00301   extern cpstr CIFTAG_U23                           ;
00302   extern cpstr CIFTAG_U23_ESD                       ;
00303   extern cpstr CIFTAG_U33                           ;
00304   extern cpstr CIFTAG_U33_ESD                       ;
00305   extern cpstr CIFTAG_Z_PDB                         ;
00306 
00307   extern cpstr CIFTAG_CONN_PTNR1_AUTH_ATOM_ID       ;
00308   extern cpstr CIFTAG_CONN_PDBX_PTNR1_AUTH_ALT_ID   ;
00309   extern cpstr CIFTAG_CONN_PTNR1_AUTH_COMP_ID       ;
00310   extern cpstr CIFTAG_CONN_PTNR1_AUTH_ASYM_ID       ;
00311   extern cpstr CIFTAG_CONN_PTNR1_AUTH_SEQ_ID        ;
00312   extern cpstr CIFTAG_CONN_PDBX_PTNR1_PDB_INS_CODE  ;
00313   extern cpstr CIFTAG_CONN_DIST                     ;
00314   extern cpstr CIFTAG_CONN_PTNR2_AUTH_ATOM_ID       ;
00315   extern cpstr CIFTAG_CONN_PDBX_PTNR2_AUTH_ALT_ID   ;
00316   extern cpstr CIFTAG_CONN_PTNR2_AUTH_COMP_ID       ;
00317   extern cpstr CIFTAG_CONN_PTNR2_AUTH_ASYM_ID       ;
00318   extern cpstr CIFTAG_CONN_PTNR2_AUTH_SEQ_ID        ;
00319   extern cpstr CIFTAG_CONN_PDBX_PTNR2_PDB_INS_CODE  ;
00320   extern cpstr CIFTAG_CONN_PTNR1_SYMMETRY           ;
00321   extern cpstr CIFTAG_CONN_PTNR2_SYMMETRY           ;
00322   extern cpstr CIFTAG_CONN_NAME                     ;
00323 
00324 }  // namespace mmdb
00325 
00326 #endif
00327
src/mmdb_cifdefs.h
