libmove3d
3.13.0
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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