#include "dist.h" main(int argc,char **argv) { SAY_HI_FIRST ; CITATION ; char * types_file = STRG_AFTER_OPT_W_ENV("types_file","../data/default-atom-defs.dat") ; char * res_file = STRG_AFTER_OPT_W_ENV("res_file","../data/default-residue-defs.dat") ; fprintf(stderr,"Modified Program to Accept Alternate Atomic Radii\n"); fprintf(stderr,"(Mark.Gerstein@yale.edu, 980205)\n"); 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); #if defined(__linux__) STDERR("__linux__ is true on compilation"); #endif { char * fn = STRG_AFTER_OPT_W_ENV("i","-"); file_records * f; if (fn[0] == '-') { f = open_pdb_stdin(0); } else { f = open_and_read_pdb(fn,0); } { char *outputfile = STRG_AFTER_OPT_W_ENV("o",NULL); FILE *ff = outputfile == NULL ? stdout : fopen(outputfile, "w") ; calculate_surface(f,DoubleAfterOption(argc,argv,"probe",1.4)); write_pdb_file(ff,f,IO_ONLY_SELECTED|IO_SURFACE); } } }