## \example core/rigid_bodies.py ## This example shows how to set up rigid bodies, one per residue in a protein. A score ## state is then used to ensure that the bodies remain rigid during the optimization process. ## import IMP import IMP.core import IMP.atom import IMP.container m= IMP.Model() # create a new IMP.atom.Hierarchy for the pdb file 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]) # Create a rigid body from the first chain # note that rbs != chains[0] as the bounding volume for rbs needs to include all of the # chain, but chains[0] might have a smaller sphere associated with it. rbs=IMP.atom.create_rigid_body(chains[0]) print "all done"