atom/load_protein_restrain_bonds.py

Load a protein from a PDB file and then restrain all the bonds to have their current length.

## \example atom/load_protein_restrain_bonds.py
## Load a protein from a PDB file and then restrain all the bonds to have their
## current length.
##

import IMP.atom
import IMP.container
m= IMP.Model()
prot= IMP.atom.read_pdb(IMP.atom.get_example_path("example_protein.pdb"), m)
IMP.atom.add_bonds(prot)
bds= IMP.atom.get_internal_bonds(prot)
bl= IMP.container.ListSingletonContainer(bds)
h= IMP.core.Harmonic(0,1)
bs= IMP.atom.BondSingletonScore(h)
br= IMP.container.SingletonsRestraint(bs, bl)
m.add_restraint(br)
print m.evaluate(False)