/* mmdbapi3.h * =========================================================================== * * PUBLIC DOMAIN NOTICE * National Center for Biotechnology Information (NCBI) * * This software/database is a "United States Government Work" under the * terms of the United States Copyright Act. It was written as part of * the author's official duties as a United States Government employee and * thus cannot be copyrighted. This software/database is freely available * to the public for use. The National Library of Medicine and the U.S. * Government do not place any restriction on its use or reproduction. * We would, however, appreciate having the NCBI and the author cited in * any work or product based on this material * * Although all reasonable efforts have been taken to ensure the accuracy * and reliability of the software and data, the NLM and the U.S. * Government do not and cannot warrant the performance or results that * may be obtained by using this software or data. The NLM and the U.S. * Government disclaim all warranties, express or implied, including * warranties of performance, merchantability or fitness for any particular * purpose. * * =========================================================================== * * File Name: mmdbapi3.h * * Author: Christopher Hogue * * Version Creation Date: 08/06/95 * * $Revision: 6.1 $ * * File Description: Contains FlatFile Generators for PDB & Kinemage * * Modifications: * -------------------------------------------------------------------------- * Date Name Description of modification * ------- ---------- ----------------------------------------------------- * 08/30/95 C. Hogue Moved globals out - into mmdbapi3.c * * $Log: mmdbapi3.h,v $ * Revision 6.1 2000/05/09 19:51:02 lewisg * add new blast header to file>properties * * Revision 6.0 1997/08/25 18:11:13 madden * Revision changed to 6.0 * * Revision 5.3 1997/06/19 18:40:07 vakatov * [WIN32,MSVC++] Adopted for the "NCBIOBJ.LIB" DLL'ization * * Revision 5.2 1997/01/27 21:43:48 hogue * Added Code to write FASTA reports and FASTA files from biopolymer molecules * * Revision 5.1 1996/07/22 00:29:32 hogue * Added a WritePDBRemarks function for PDB file generation. * * Revision 5.0 1996/05/28 14:02:09 ostell * Set to revision 5.0 * * Revision 1.3 1995/09/19 21:08:32 hogue * Added WriteStructSummary() * * Revision 1.2 1995/08/30 19:36:44 kans * numerous changes * * Revision 1.1 1995/08/28 19:30:14 kans * Initial revision * * * ========================================================================== */ /***************************************************************************** * * mmdbapi3.h * * UNDER CONSTRUCTION NOTICE. * SUBJECT TO RADICAL CHANGES... * * programmer C.W.V. Hogue * created: 6 AUGUST 95 * last mod: 28 AUGUST 95 *****************************************************************************/ #ifndef _MMDBAPI3_ #define _MMDBAPI3_ #undef NLM_EXTERN #ifdef NLM_IMPORT #define NLM_EXTERN NLM_IMPORT #else #define NLM_EXTERN extern #endif #ifdef __cplusplus extern "C" { #endif /* GLOBAL VARIABLES */ /*#define 0x80 */ #define KIN_MULTANIM 0x20 #define KIN_ALTCONF 0x10 #define KIN_HET 0x08 /* default */ #define KIN_RESIDUE 0x04 #define KIN_BACKBONE 0x02 #define KIN_VIRTUAL 0x01 /* default */ #define KIN_DEFAULT 0x00 #define KIN_MASK_ALT 0xEF /* not with MULTANIM */ #define KIN_COLOR_DEFAULT 0 #define KIN_COLOR_NUMBER 1 /* default & forced with MULTANIM */ #define KIN_COLOR_TYPE 2 #define KIN_COLOR_TEMP 3 /* forces Temp groups only */ #define KIN_COLOR_ATOM 4 /* forces Element groups only */ #define KIN_COLOR_THERM 16 #define KIN_COLOR_MAX 22 #define KIN_COLOR_NUM 9 #define MAX_KIN_ATOMS 6 /* FUNCTION PROTOTYPES */ void LIBCALLBACK WriteAtomOrHet(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); CharPtr LIBCALL AuthorListPDB(BiostrucPtr pbsThis); Int2 LIBCALL WritePDBModel(Int2 iModel, Int2 iManyModels, PDNMS pdnmsThis, FILE *pFile); void LIBCALL WritePDBHeader(PDNMS pdnmsThis, FILE *pFile); void LIBCALL WritePDBMotifs(PDNMS pdnmsThis, FILE *pFile); NLM_EXTERN void LIBCALL WritePDBRemarks(PDNMS pdnmsThis, FILE *pFile); void LIBCALL WritePDBSeqRes(PDNMS pdnmsThis, FILE *pFile); void LIBCALLBACK PDBConnect(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALL WritePDBConnect(PDNMS pdnmsThis, Int2 iModel, FILE *pFile); Int2 LIBCALL WritePDBModelList(PDNMS pdnmsThis, FILE *pFile, Int2 iNumModels, Int2Ptr i2Vec ); Int2 LIBCALL WritePDBOneModel(PDNMS pdnmsThis, FILE *pFile, Int2 iModel); NLM_EXTERN Int2 LIBCALL WritePDBAllModel(PDNMS pdnmsThis, FILE *pFile); CharPtr LIBCALL GetKinMolName(PMMD pmmdThis); CharPtr LIBCALL WriteKinSeq(PDNMS pdnmsThis, FILE *pFile); void LIBCALL WriteKinHeader(PDNMS pdnmsThis, FILE *pFile); void LIBCALL AddLineKin(FILE *pFile, PALD paldFrom, PALD paldTo); void LIBCALLBACK WriteKinVirt(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinHet(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinBB(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinRes(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinAAResType(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinNAResType(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinAlt(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinIon(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); void LIBCALLBACK WriteKinAtom(PFB pfbThis, Int4 iModel, Int4 iIndex, Pointer ptr); Int2 LIBCALL WriteKinAnimate(Int2 iModel, PDNMS pdnmsThis, FILE *pFile, Int2 iColor, Byte bKinRender, CharPtr pcComposition); Int2 LIBCALL KinColorFromSS(PMGD pmgdThis); CharPtr LIBCALL NameFromSS(PMGD pmgdThis); Int2 LIBCALL WriteKinModelByType(Int2 iModel, PDNMS pdnmsThis, FILE *pFile, Int2 iColor, Byte bKinRender, CharPtr pcComposition); Int2 LIBCALL WriteKinModel(Int2 iModel, PDNMS pdnmsThis, FILE *pFile, Int2 iColor, Byte bKinRender, CharPtr pcComposition); Int2 LIBCALL WriteKinModelList(PDNMS pdnmsThis, FILE *pFile, Int2 iColor, Byte bKinRender, Int2 iNumModels, Int2Ptr i2Vec ); NLM_EXTERN Int2 LIBCALL WriteKinOneModel(PDNMS pdnmsThis, FILE *pFile, Int2 iColor, Byte bKinRender, Int2 iModel); NLM_EXTERN Int2 LIBCALL WriteKinAllModel(PDNMS pdnmsThis, FILE *pFile, Int2 iColor, Byte bKinRender); NLM_EXTERN Int2 LIBCALL WriteStructSummary(PDNMS pdnmsThis, FILE *pFile); void LIBCALL WriteFASTAMolecule(PDNMM pdnmmThis, FILE *File, Int4 LineLen); void LIBCALL WriteFASTASeqHet(PDNMS pdnmsThis, FILE *pFile); NLM_EXTERN void WriteStrucHTMLSeq(PDNMS pdnmsThis, FILE *pFile); #ifdef __cplusplus } #endif #undef NLM_EXTERN #ifdef NLM_EXPORT #define NLM_EXTERN NLM_EXPORT #else #define NLM_EXTERN #endif #endif