This illustrates a basic main loop for optimization and searching for the best scoring conformation.
6 from __future__
import print_function
13 (m, c) = IMP.example.create_model_and_particles()
18 m.set_log_level(IMP.WARNING)
22 xyzrs = c.get_particles()
25 s.set_scoring_function(sf)
26 s.set_number_of_attempts(10)
28 s.set_log_level(IMP.TERSE)
29 s.set_number_of_monte_carlo_steps(10)
31 configs = s.create_sample()
32 for i
in range(0, configs.get_number_of_configurations()):
33 configs.load_configuration(i)
45 for i
in range(0, clustering.get_number_of_clusters()):
47 configs.load_configuration(clustering.get_cluster_representative(i))