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simple_excluded_volume.py
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## \example restrainer/simple_excluded_volume.py
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## This example shows how to create simple IMP::core::ExcludedVolumeRestraint.
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##
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#-- File: simple_excluded_volume.py --#
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import
IMP
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import
IMP.core
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import
IMP.atom
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import
IMP.restrainer
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m=
IMP.Model
()
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sel =
IMP.atom.CAlphaPDBSelector
()
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p0 =
IMP.atom.read_pdb
(
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IMP.restrainer.get_example_path
(
"input.pdb"
), m, sel)
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p1 =
IMP.atom.read_pdb
(
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IMP.restrainer.get_example_path
(
"input.pdb"
), m, sel)
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mhs = IMP.atom.Hierarchies()
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mhs.append(p0)
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mhs.append(p1)
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ps = []
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for
mh
in
mhs:
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ps.append(mh.get_particle())
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rbs =
IMP.restrainer.set_rigid_bodies
(mhs)
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sev = IMP.restrainer.create_simple_excluded_volume_on_rigid_bodies(rbs)
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r = sev.get_restraint()
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m.add_restraint(r)