int main(int argc, char **argv)
{
char *filename = "test.pdb";
WHOLEPDB *wpdb;
FILE *fp;
PDB *pdb1, *pdb2, *p;
int natoms;
if((fp=fopen(filename, "r"))==NULL)
{
fprintf(stderr,"Can't open %s\n", filename);
return(1);
}
if(((wpdb=blReadWholePDB(fp))==NULL)||(wpdb->pdb == NULL))
{
fprintf(stderr,"Can't read atoms from %s\n", filename);
return(1);
}
fclose(fp);
pdb1 = wpdb->pdb;
if((pdb2 = blStripHPDBAsCopy(pdb1, &natoms))==NULL)
{
fprintf(stderr,"Stripping hydrogens failed\n");
return(1);
}
if(!blCopyConects(pdb2, pdb1))
{
fprintf(stderr,"Failed to copy CONECT data\n");
return(1);
}
printf(">>> Original CONECT data\n");
wpdb->pdb = pdb1;
blWriteWholePDBTrailer(stdout, wpdb, 1);
/* Reset atom numbers in original list to prove we aren't picking up
the old atoms
*/
for(p=pdb1; p!=NULL; NEXT(p))
p->atnum = 0;
printf(">>> New CONECT data\n");
wpdb->pdb = pdb2;
blWriteWholePDBTrailer(stdout, wpdb, 1);
return(0);
}
PDB *StripHPDB(PDB *pdbin, int *natom)
{
DEPRECATED("StripHPDB()","blStripHPDBAsCopy()");
return(blStripHPDBAsCopy(pdbin, natom));
}
