IMP  2.4.0
The Integrative Modeling Platform
multistate.py
1 ## \example multistate.py
2 #
3 
4 from __future__ import print_function
5 import IMP.atom
6 import IMP.kernel
7 
8 m = IMP.kernel.Model()
9 
10 rt = IMP.atom.Hierarchy.setup_particle(m, m.add_particle("root"))
11 
12 
13 def create_one():
14  h = IMP.atom.read_pdb(IMP.atom.get_example_path("1d3d-protein.pdb"), m)
15  return h
16 
17 h0 = create_one()
18 rt.add_child(h0)
19 IMP.atom.State.setup_particle(h0, 0)
20 h1 = create_one()
21 rt.add_child(h1)
22 IMP.atom.State.setup_particle(h1, 1)
23 
24 
25 r8 = IMP.atom.Selection(
26  rt,
27  state_index=1,
28  residue_index=8,
29  atom_type=IMP.atom.AT_CA)
30 
31 # we get the 8th CA from state 1
32 for p in r8.get_selected_particles():
33  print(IMP.atom.get_state_index(p), p)