#ifndef __MAKENEWATOM_H__ #define __MAKENEWATOM_H__ #include "pdb.h" #ifdef __cplusplus extern "C" { #endif #include "pdb.h" /* Give the following routine something like: string = "ATOM 3499 O HOH 723 62.269 5.771 23.986 1.00 30.84 " ; n = 100 ; */ file_records *ConstructNDummyAtoms(char * string, int n); /* Internal */ atom_record * MakeNewAtom(char * string); /* This modifies the residue connectivity in f1 and f2. */ file_records *JoinFileRecords_1then2 (file_records *f1,file_records *f2); /* This deallocates file_record f without freeing the atoms pointed to by f->atoms[ii]. */ void FreeFileRecordsWithOutFreeingAtoms(file_records *f); #ifdef OFF /* These are private for now . */ atom_record * RadFileStringToNewAtom(char * string); file_records *ReadRadFile(FILE * ff, int format); #endif file_records *OpenReadRadFile(char * name,int format); file_records *MoveSelectedToDerivedFileRecord(file_records *f, int flag); file_records *NewFileRecWithOutWaterOrSymChain(file_records *f); file_records *NewFileRecWithOutWater(file_records *f); #ifdef __cplusplus } #endif #endif /* !__MAKENEWATOM_H__ */