IMP  2.3.1
The Integrative Modeling Platform
multistate.py
1 ## \example multistate.py
2 #
3 
4 import IMP.atom
5 import IMP.kernel
6 
7 m = IMP.kernel.Model()
8 
9 rt = IMP.atom.Hierarchy.setup_particle(m, m.add_particle("root"))
10 
11 
12 def create_one():
13  h = IMP.atom.read_pdb(IMP.atom.get_example_path("1d3d-protein.pdb"), m)
14  return h
15 
16 h0 = create_one()
17 rt.add_child(h0)
18 IMP.atom.State.setup_particle(h0, 0)
19 h1 = create_one()
20 rt.add_child(h1)
21 IMP.atom.State.setup_particle(h1, 1)
22 
23 
24 r8 = IMP.atom.Selection(
25  rt,
26  state_index=1,
27  residue_index=8,
28  atom_type=IMP.atom.AT_CA)
29 
30 # we get the 8th CA from state 1
31 for p in r8.get_selected_particles():
32  print IMP.atom.get_state_index(p), p