IMP  2.0.0
The Integrative Modeling Platform
restrainer/simple_excluded_volume.py

This example shows how to create simple IMP::core::ExcludedVolumeRestraint.

1 ## \example restrainer/simple_excluded_volume.py
2 ## This example shows how to create simple IMP::core::ExcludedVolumeRestraint.
3 ##
4 
5 #-- File: simple_excluded_volume.py --#
6 
7 import IMP
8 import IMP.core
9 import IMP.atom
10 import IMP.restrainer
11 
12 m= IMP.Model()
13 
16  IMP.restrainer.get_example_path("input.pdb"), m, sel)
18  IMP.restrainer.get_example_path("input.pdb"), m, sel)
19 
20 mhs = IMP.atom.Hierarchies()
21 mhs.append(p0)
22 mhs.append(p1)
23 
24 ps = []
25 for mh in mhs:
26  ps.append(mh.get_particle())
27 
29 
30 sev = IMP.restrainer.create_simple_excluded_volume_on_rigid_bodies(rbs)
31 
32 r = sev.get_restraint()
33 
34 m.add_restraint(r)