--- /home/sjplimp/oldpizza/src/pdb.py 2005-11-07 17:10:41.000000000 -0700 +++ /home/sjplimp/pizza/src/pdb.py 2005-11-17 10:51:59.000000000 -0700 @@ -283,7 +283,7 @@ print >>f,line, else: for atom in atoms: - begin = "ATOM %6d C R00 1 " % atom[0] + begin = "ATOM %6d %2d R00 1 " % (atom[0],atom[1]) middle = "%8.3f%8.3f%8.3f" % (atom[2],atom[3],atom[4]) - end = " 1.00 0.00 LJ" + end = " 1.00 0.00 NONE" print >>f,begin+middle+end