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from modeller import *
from modeller.automodel import *    # Load the automodel class
log.verbose()
class MyModel(automodel):
    def special_patches(self, aln):
        # Rename both chains and renumber the residues in each
        self.rename_segments(segment_ids=['X', 'Y'],
                             renumber_residues=[1, 1])
        # Another way to label individual chains:
        self.chains[0].name = 'X'
        self.chains[1].name = 'Y'
    def special_restraints(self, aln):
        rsr = self.restraints
        at = self.atoms
#       Restrain the specified CB-CB distance to 8 angstroms (st. dev.=0.1)
#       Use a harmonic potential and X-Y distance group.
#       Note that because special_patches is called before special_restraints,
#       we must use the relabeled chain IDs and residue numbers here.
        rsr.add(forms.gaussian(group=physical.xy_distance,
                               feature=features.distance(at[CB:40:Y],
                                                                     at['CB:71:Y']),
                               mean=8.0, stdev=0.1))
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