#include "pdb.h" main(int argc,char **argv) { SAY_HI_FIRST ; CITATION ; char * types_file = STRG_AFTER_OPT_W_ENV("types_file","../data/simple-atom-defs.dat") ; char * res_file = STRG_AFTER_OPT_W_ENV("res_file","../data/simple-residue-defs.dat") ; fprintf(stderr,"Expecting atoms definitions to be in %s\n",types_file); fprintf(stderr,"Expecting residue definitions to be in %s\n",res_file); initial_residues(types_file,res_file,0); WriteAtomTypes(); { file_records *f = open_and_read_pdb(STRG_AFTER_OPT_W_ENV("i","in.pdb"),0); int ii; for (ii=0; iiatomnum; ii++) { atom_record * a = f->atoms[ii]; printf("%5s %5s | %5s | %4d %5s\n", a->resname,a->name,a->definition->name, a->definition->type_index, atom_type_name(a->definition->type_index)); } } }