22 p.set_coordinates_are_optimized(
True)
29 for i
in range(0, len(ps)/2):
30 pp=(ps[2*i], ps[2*i+1])
53 bd.set_log_level(IMP.base.SILENT)
54 bd.set_scoring_function(sf)
56 bd.set_maximum_time_step(10)
59 rmf= RMF.create_rmf_file(name)
60 rmf.set_description(
"Brownian dyanmics trajectory with 10fs timestep.\n")
66 os.update_always(
"initial conformation")
67 os.set_log_level(IMP.base.SILENT)
69 bd.add_optimizer_state(os)
73 print "file is", rmf.get_name()