import IMP import IMP.core import IMP.atom import IMP.helper m= IMP.Model() mp0= IMP.atom.read_pdb(IMP.core.get_example_path('example_protein.pdb'), m) residues= IMP.atom.get_by_type(mp0, IMP.atom.RESIDUE_TYPE) rbs=IMP.container.ListSingletonContainer(residues) for r in residues: IMP.core.RigidBody.setup_particle(r.get_particle(), IMP.core.XYZs(IMP.atom.get_leaves(r))) mp1= IMP.atom.read_pdb(IMP.core.get_example_path('example_protein.pdb'), m) chains= IMP.atom.get_by_type(mp1, IMP.atom.CHAIN_TYPE) rd= IMP.atom.Hierarchy(chains[0]) rbs=IMP.atom.setup_as_rigid_body(chains[0]) print "all done"