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Building an all hydrogen model

This is done by using the allhmodel class rather than automodel. Otherwise, operation is identical. Note that the allhmodel class automatically turns on for you and selects the all-atom topology and radii files.

Example: examples/automodel/

from modeller import *
from modeller.automodel import *

env = environ() = ['.', '../atom_files']

a = allhmodel(env, alnfile='alignment.ali', knowns='5fd1', sequence='1fdx')
a.starting_model = a.ending_model = 4


Ben Webb 2008-05-05