NCBI C Toolkit Cross Reference

C/biostruc/mmdbapi3.h

  1 /*   mmdbapi3.h
  2 * ===========================================================================
  3 *
  4 *                            PUBLIC DOMAIN NOTICE
  5 *            National Center for Biotechnology Information (NCBI)
  6 *
  7 *  This software/database is a "United States Government Work" under the
  8 *  terms of the United States Copyright Act.  It was written as part of
  9 *  the author's official duties as a United States Government employee and
 10 *  thus cannot be copyrighted.  This software/database is freely available
 11 *  to the public for use. The National Library of Medicine and the U.S.
 12 *  Government do not place any restriction on its use or reproduction.
 13 *  We would, however, appreciate having the NCBI and the author cited in
 14 *  any work or product based on this material
 15 *
 16 *  Although all reasonable efforts have been taken to ensure the accuracy
 17 *  and reliability of the software and data, the NLM and the U.S.
 18 *  Government do not and cannot warrant the performance or results that
 19 *  may be obtained by using this software or data. The NLM and the U.S.
 20 *  Government disclaim all warranties, express or implied, including
 21 *  warranties of performance, merchantability or fitness for any particular
 22 *  purpose.
 23 *
 24 * ===========================================================================
 25 *
 26 * File Name:  mmdbapi3.h
 27 *
 28 * Author:  Christopher Hogue
 29 *
 30 * Version Creation Date:   08/06/95
 31 *
 32 * $Revision: 6.1 $
 33 *
 34 * File Description: Contains FlatFile Generators for PDB & Kinemage
 35 *
 36 * Modifications:  
 37 * --------------------------------------------------------------------------
 38 * Date     Name        Description of modification
 39 * -------  ----------  -----------------------------------------------------
 40 * 08/30/95 C. Hogue    Moved globals out - into mmdbapi3.c
 41 *
 42 * $Log: mmdbapi3.h,v $
 43 * Revision 6.1  2000/05/09 19:51:02  lewisg
 44 * add new blast header to file>properties
 45 *
 46 * Revision 6.0  1997/08/25 18:11:13  madden
 47 * Revision changed to 6.0
 48 *
 49 * Revision 5.3  1997/06/19 18:40:07  vakatov
 50 * [WIN32,MSVC++]  Adopted for the "NCBIOBJ.LIB" DLL'ization
 51 *
 52 * Revision 5.2  1997/01/27 21:43:48  hogue
 53 * Added Code to write FASTA reports and FASTA files from biopolymer molecules
 54 *
 55  * Revision 5.1  1996/07/22  00:29:32  hogue
 56  * Added a WritePDBRemarks function for PDB file generation.
 57  *
 58  * Revision 5.0  1996/05/28  14:02:09  ostell
 59  * Set to revision 5.0
 60  *
 61  * Revision 1.3  1995/09/19  21:08:32  hogue
 62  * Added WriteStructSummary()
 63  *
 64  * Revision 1.2  1995/08/30  19:36:44  kans
 65  * numerous changes
 66  *
 67  * Revision 1.1  1995/08/28  19:30:14  kans
 68  * Initial revision
 69  *
 70 
 71 *
 72 * ==========================================================================
 73 */
 74 /*****************************************************************************
 75 *
 76 *  mmdbapi3.h
 77 *   
 78 *  UNDER CONSTRUCTION NOTICE.  
 79 *       SUBJECT TO RADICAL CHANGES...
 80 *   
 81 *  programmer C.W.V. Hogue
 82 *  created: 6 AUGUST 95
 83 *  last mod: 28 AUGUST 95
 84 *****************************************************************************/
 85 
 86 #ifndef _MMDBAPI3_
 87 #define _MMDBAPI3_
 88 
 89 #undef NLM_EXTERN
 90 #ifdef NLM_IMPORT
 91 #define NLM_EXTERN NLM_IMPORT
 92 #else
 93 #define NLM_EXTERN extern
 94 #endif
 95 
 96 #ifdef __cplusplus
 97 extern "C" {
 98 #endif
 99 
100 /* GLOBAL VARIABLES */
101 
102 /*#define            0x80 */ 
103 #define KIN_MULTANIM    0x20   
104 #define KIN_ALTCONF     0x10  
105 #define KIN_HET         0x08   /* default */
106 #define KIN_RESIDUE     0x04 
107 #define KIN_BACKBONE    0x02   
108 #define KIN_VIRTUAL     0x01   /* default */
109 #define KIN_DEFAULT     0x00
110 #define KIN_MASK_ALT    0xEF  /* not with MULTANIM */
111 
112 #define KIN_COLOR_DEFAULT 0
113 #define KIN_COLOR_NUMBER  1  /* default & forced with MULTANIM */
114 #define KIN_COLOR_TYPE    2 
115 #define KIN_COLOR_TEMP    3  /* forces Temp groups only */ 
116 #define KIN_COLOR_ATOM    4 /* forces Element groups only */
117 
118  
119 #define KIN_COLOR_THERM 16
120 #define KIN_COLOR_MAX 22
121 #define KIN_COLOR_NUM 9
122 #define MAX_KIN_ATOMS 6
123 
124 
125 /* FUNCTION PROTOTYPES */
126 
127 
128 void LIBCALLBACK WriteAtomOrHet(PFB pfbThis, Int4 iModel,  Int4 iIndex,  Pointer ptr);
129 CharPtr LIBCALL AuthorListPDB(BiostrucPtr pbsThis);
130 Int2 LIBCALL WritePDBModel(Int2 iModel, Int2 iManyModels,  PDNMS pdnmsThis, FILE *pFile);
131 void LIBCALL WritePDBHeader(PDNMS pdnmsThis,  FILE *pFile);
132 void LIBCALL WritePDBMotifs(PDNMS pdnmsThis,  FILE *pFile);
133 NLM_EXTERN void LIBCALL WritePDBRemarks(PDNMS pdnmsThis,  FILE *pFile);
134 void LIBCALL WritePDBSeqRes(PDNMS pdnmsThis,  FILE *pFile);
135 void LIBCALLBACK PDBConnect(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr);
136 void LIBCALL WritePDBConnect(PDNMS pdnmsThis,  Int2 iModel, FILE *pFile);
137 Int2 LIBCALL WritePDBModelList(PDNMS pdnmsThis,  FILE *pFile,  Int2 iNumModels,  Int2Ptr i2Vec );
138 Int2 LIBCALL WritePDBOneModel(PDNMS pdnmsThis,  FILE *pFile,  Int2 iModel);
139 NLM_EXTERN Int2 LIBCALL WritePDBAllModel(PDNMS pdnmsThis,  FILE *pFile);
140 
141 CharPtr LIBCALL GetKinMolName(PMMD pmmdThis);
142 CharPtr LIBCALL WriteKinSeq(PDNMS pdnmsThis,  FILE *pFile);
143 void LIBCALL WriteKinHeader(PDNMS pdnmsThis,  FILE *pFile);
144 void LIBCALL AddLineKin(FILE *pFile,  PALD paldFrom,  PALD paldTo);
145 void LIBCALLBACK WriteKinVirt(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
146 void LIBCALLBACK WriteKinHet(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
147 void LIBCALLBACK WriteKinBB(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
148 void LIBCALLBACK WriteKinRes(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
149 void LIBCALLBACK WriteKinAAResType(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
150 void LIBCALLBACK WriteKinNAResType(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
151 void LIBCALLBACK WriteKinAlt(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
152 void LIBCALLBACK WriteKinIon(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
153 void LIBCALLBACK WriteKinAtom(PFB pfbThis, Int4 iModel,  Int4 iIndex, Pointer ptr);
154 Int2 LIBCALL WriteKinAnimate(Int2 iModel,  PDNMS pdnmsThis, 
155                 FILE *pFile,  Int2 iColor, Byte bKinRender, CharPtr pcComposition);
156 Int2 LIBCALL KinColorFromSS(PMGD pmgdThis);
157 CharPtr LIBCALL NameFromSS(PMGD pmgdThis);
158 Int2 LIBCALL WriteKinModelByType(Int2 iModel,  PDNMS pdnmsThis, 
159                 FILE *pFile,  Int2 iColor, Byte bKinRender, CharPtr pcComposition);
160 Int2 LIBCALL WriteKinModel(Int2 iModel,  PDNMS pdnmsThis, 
161                 FILE *pFile,  Int2 iColor, Byte bKinRender, CharPtr pcComposition);
162 Int2 LIBCALL WriteKinModelList(PDNMS pdnmsThis,  FILE *pFile,  Int2 iColor, Byte bKinRender,
163                                  Int2 iNumModels,  Int2Ptr i2Vec );
164 NLM_EXTERN Int2 LIBCALL WriteKinOneModel(PDNMS pdnmsThis,  FILE *pFile, Int2 iColor, Byte bKinRender, Int2 iModel);
165 NLM_EXTERN Int2 LIBCALL WriteKinAllModel(PDNMS pdnmsThis, FILE *pFile, Int2 iColor, Byte bKinRender);
166 NLM_EXTERN Int2 LIBCALL WriteStructSummary(PDNMS pdnmsThis,  FILE *pFile);
167 void LIBCALL WriteFASTAMolecule(PDNMM pdnmmThis, FILE *File, Int4 LineLen);
168 void LIBCALL WriteFASTASeqHet(PDNMS pdnmsThis,  FILE *pFile);
169 NLM_EXTERN void WriteStrucHTMLSeq(PDNMS pdnmsThis,  FILE *pFile);
170 
171 
172 #ifdef __cplusplus
173 }
174 #endif
175 
176 #undef NLM_EXTERN
177 #ifdef NLM_EXPORT
178 #define NLM_EXTERN NLM_EXPORT
179 #else
180 #define NLM_EXTERN
181 #endif
182 
183 #endif
184
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