5 from __future__
import print_function
16 m, m.add_particle(
"rigid body"),
22 print(
"adding rigid body for atoms")
27 print(
"creating residue level rep")
29 print(
"adding rigid body for residues")
31 resolutions.add_representation(residues)
33 print(
"creating triplet residue level rep")
35 resolutions.add_representation(triplets)
36 print(
"adding rigid body for triplets")
40 resolutions.add_representation(whole)
42 print(
"resolutions are", resolutions)
47 root, residue_index=15, resolution=1).get_selected_particles())
50 root, residue_index=15, resolution=.3).get_selected_particles())
51 print(
"several residues")
53 root, residue_index=15, resolution=.2).get_selected_particles())
56 root, residue_index=15, resolution=.01).get_selected_particles())
59 root, residue_index=15,
60 resolution=IMP.atom.ALL_RESOLUTIONS).get_selected_particles())
Select non water and non hydrogen atoms.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
static Representation setup_particle(Model *m, ParticleIndex pi)
void read_pdb(TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.
static Hierarchy setup_particle(Model *m, ParticleIndex pi, ParticleIndexesAdaptor children=ParticleIndexesAdaptor())
Create a Hierarchy of level t by adding the needed attributes.
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.
Select hierarchy particles identified by the biological name.
static RigidBody setup_particle(Model *m, ParticleIndex pi, ParticleIndexesAdaptor ps)