12 m, m.add_particle(
"rigid body"),
18 print "adding rigid body for atoms"
23 print "creating residue level rep"
25 print "adding rigid body for residues"
27 resolutions.add_representation(residues)
29 print "creating triplet residue level rep"
31 resolutions.add_representation(triplets)
32 print "adding rigid body for triplets"
36 resolutions.add_representation(whole)
38 print "resolutions are", resolutions
42 print IMP.atom.Selection(root, residue_index=15, resolution=1).get_selected_particles()
44 print IMP.atom.Selection(root, residue_index=15, resolution=.3).get_selected_particles()
45 print "several residues"
46 print IMP.atom.Selection(root, residue_index=15, resolution=.2).get_selected_particles()
48 print IMP.atom.Selection(root, residue_index=15, resolution=.01).get_selected_particles()
50 print IMP.atom.Selection(root, residue_index=15, resolution=IMP.atom.ALL_RESOLUTIONS).get_selected_particles()
Select non water and non hydrogen atoms.
static RigidBody setup_particle(kernel::Model *m, ParticleIndex pi, kernel::ParticleIndexesAdaptor ps)
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
static Hierarchy setup_particle(kernel::Model *m, kernel::ParticleIndex pi, kernel::ParticleIndexesAdaptor children=kernel::ParticleIndexesAdaptor())
static Representation setup_particle(kernel::Model *m, ParticleIndex pi)
Hierarchy create_simplified_along_backbone(Chain input, const IntRanges &residue_segments, bool keep_detailed=false)
IMP::core::RigidBody create_rigid_body(Hierarchy h)
Functionality for loading, creating, manipulating and scoring atomic structures.
void read_pdb(base::TextInput input, int model, Hierarchy h)
Select hierarchy particles identified by the biological name.
Class for storing model, its restraints, constraints, and particles.