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))
PartitionalClusteringWithCenter * create_lloyds_kmeans(Embedding *embedding, unsigned int k, unsigned int iterations)
Embed a configuration using the XYZ coordinates of a set of particles.
Lower bound harmonic function (non-zero when feature < mean)
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
Create a scoring function on a list of restraints.
Return all close unordered pairs of particles taken from the SingletonContainer.
Code to compute statistical measures.
algebra::Sphere3D get_enclosing_sphere(const XYZs &v)
Get a sphere enclosing the set of XYZRs.
Applies a PairScore to each Pair in a list.