import IMP import IMP.display import IMP.core m= IMP.Model() c= IMP.container.ListSingletonContainer(IMP.core.create_xyzr_particles(m, 20, 5)) log= IMP.display.WriteOptimizerState(IMP.display.PymolWriter(), "log_file.%04d.pym") g= IMP.display.XYZRsGeometry(c, IMP.core.XYZR.get_default_radius_key()) g.set_name("my particles") g.set_color(IMP.display.Color(1,0,0)) log.add_geometry(g) log.write("initial.pym") r= IMP.core.ExcludedVolumeRestraint(c) m.add_restraint(r) o= IMP.core.MonteCarlo(m) mv= IMP.core.BallMover(c, 10) o.add_mover(mv) o.add_optimizer_state(log) o.optimize(1000)