doc/ref/multistate_8py_source.html

 ## \example multistate.py

 #


 from __future__ import print_function

 import IMP.atom

 import sys


 IMP.setup_from_argv(sys.argv, "multistate")


 m = IMP.Model()


 rt = IMP.atom.Hierarchy.setup_particle(m, m.add_particle("root"))


 def create_one():

     h = IMP.atom.read_pdb(IMP.atom.get_example_path("1d3d-protein.pdb"), m)

     return h


 h0 = create_one()

 rt.add_child(h0)

 IMP.atom.State.setup_particle(h0, 0)

 h1 = create_one()

 rt.add_child(h1)

 IMP.atom.State.setup_particle(h1, 1)


 r8 = IMP.atom.Selection(

     rt,

     state_index=1,

     residue_index=8,

     atom_type=IMP.atom.AT_CA)


 # we get the 8th CA from state 1

 for p in r8.get_selected_particles():

     print(IMP.atom.get_state_index(p), p)

IMP::setup_from_argv
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)

IMP::atom::State::setup_particle
static State setup_particle(Model *m, ParticleIndex pi, unsigned int index)
Definition: State.h:39

IMP::atom::get_example_path
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.

IMP::atom::read_pdb
void read_pdb(TextInput input, int model, Hierarchy h)

IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:73

IMP::atom::Hierarchy::setup_particle
static Hierarchy setup_particle(Model *m, ParticleIndex pi, ParticleIndexesAdaptor children=ParticleIndexesAdaptor())
Create a Hierarchy of level t by adding the needed attributes.
Definition: atom/Hierarchy.h:240

IMP::atom::get_state_index
int get_state_index(Hierarchy h)
Walk up the hierarchy to find the current state.

IMP::atom
Functionality for loading, creating, manipulating and scoring atomic structures.

IMP::atom::Selection
Select hierarchy particles identified by the biological name.
Definition: Selection.h:70