IMP  2.0.1
The Integrative Modeling Platform
bipartite_nonbonded_interactions.py
1 ## \example container/bipartite_nonbonded_interactions.py
2 ## This example shows how set up excluded volume interactions between two sets of particles.
3 
4 import IMP
5 import IMP.core
6 import IMP.container
7 
8 # This example addes a restraint on bipartite nonbonded interactions
9 # after excluding a set of bonded interactions.
10 
11 m= IMP.Model()
12 # The set of particles
15 
16 # Set up the nonbonded list
18 
19 # Set up excluded volume
21 evr= IMP.container.PairsRestraint(ps, nbl)
22 m.add_restraint(evr)
23 
24 # Set up optimizer
26 o.set_model(m)
27 
28 o.optimize(1000)