[modeller_usage] Simple modeling with ligand

I was trying to widen the script model-single.log of tutorial "Basic example' to treat also a ligand

from modeller import * from modeller.automodel import *

env = environ() env.io.hetatm = True a = automodel(env, alnfile='xxx.ali', knowns='XXX', sequence='yyy', assess_methods=(assess.DOPE, assess.GA341)) a.starting_model = 1 a.ending_model = 5 a.make()

The five model were built without the ligand. Much obliged for getting a correction of this script.

Thanks francesco pietra