# Homology modelling by the automodel class from modeller import * from modeller.automodel import * # Load the automodel class log.verbose() # request verbose output env = environ() # create a new MODELLER environment to build this model in # directories for input atom files env.io.atom_files_directory = './:../atom_files' env.io.hetatm = True a = automodel(env, alnfile = 'ArATEs.ali', # alignment filename knowns = '3TAT', # codes of the templates sequence = 'ArATEs_wt') # code of the target a.starting_model = 1 # index of the first model a.ending_model = 1 # index of the last model a.make() # do the actual homology modelling