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)
21 pis = c.get_contents()
24 s.set_scoring_function(sf)
25 s.set_number_of_attempts(10)
27 s.set_log_level(IMP.TERSE)
28 s.set_number_of_monte_carlo_steps(10)
30 configs = s.create_sample()
31 for i
in range(0, configs.get_number_of_configurations()):
32 configs.load_configuration(i)
44 for i
in range(0, clustering.get_number_of_clusters()):
46 configs.load_configuration(clustering.get_cluster_representative(i))