libmove3d: /home/slemaign/softs-local/BioMove3D-git/BioTools/ambmov/pdbFormat.h Source File

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00001 #ifndef PDBFORMAT_H
00002 #define PDBFORMAT_H
00003 
00004 #include "atoms.h"
00005 #include "protein.h"
00006 
00007 typedef enum {
00008   INSIGHT, AMBER
00009 } formatTypes;
00010 
00011 extern void translate_pdb_res_name(char* pdb_res_name, char* psf_res_name, 
00012                                    formatTypes pdb_format);
00013 extern void translate_pdb_atom_name(char* pdb_atom_name, char* psf_atom_name,
00014                                     residueTypes resType, formatTypes pdb_format);
00015 extern int scanFile(FILE* pdbfile, formatTypes* format);
00016 extern int update_amber_serial(residue* resPt, int firstSer, int* lastSer);
00017 extern void write_residue_with_amber_order(FILE* pdboutfile, residue* resPt);
00018 extern int get_amber_serial(atom* aPt, int* serial);
00019 
00020 #endif