19 hchain = IMP.atom.get_by_type(mp0, IMP.atom.CHAIN_TYPE)[0]
28 atoms = IMP.atom.get_by_type(mp0, IMP.atom.ATOM_TYPE)
45 mp1t.show_graphviz(open(
"hierarchy.dot",
"w"))
48 mp1t.show_with_altgraph()
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.
HierarchyTree get_hierarchy_tree(Hierarchy h)
Get a graph for the passed Hierarchy.
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.
Basic functionality that is expected to be used by a wide variety of IMP users.
Hierarchy create_simplified_along_backbone(Chain input, const IntRanges &residue_segments, bool keep_detailed=false)
Residue get_residue(Atom d, bool nothrow=false)
Return the Residue containing this atom.
IMP::core::RigidBody create_rigid_body(Hierarchy h)
Class to handle individual particles of a Model object.
Store info for a chain of a protein.
Functionality for loading, creating, manipulating and scoring atomic structures.