This illustrates a basic main loop for optimization and searching for the best scoring conformation.
9 (m, c) = IMP.example.create_model_and_particles()
14 m.set_log_level(IMP.WARNING)
18 xyzrs = c.get_particles()
21 s.set_number_of_attempts(10)
23 s.set_log_level(IMP.base.TERSE)
24 s.set_number_of_monte_carlo_steps(10)
26 configs = s.create_sample()
27 for i
in range(0, configs.get_number_of_configurations()):
28 configs.load_configuration(i)
40 for i
in range(0, clustering.get_number_of_clusters()):
42 configs.load_configuration(clustering.get_cluster_representative(i))