IMP  2.2.0
The Integrative Modeling Platform
excluded_volume.py
1 ## \example core/excluded_volume.py
2 # Setup an excluded volume restraint between a bunch of particles with radius.
3 #
4 
5 import IMP.example
6 
7 (m, c) = IMP.example.create_model_and_particles()
8 
9 # this container lists all pairs that are close at the time of evaluation
13 # use the lower bound on the inter-sphere distance to push the spheres apart
14 nbr = IMP.container.PairsRestraint(sd, nbl)
15 m.add_restraint(nbr)
16 
17 # alternatively, one could just do
19 m.add_restraint(r)
20 
21 # get the current score
22 print m.evaluate(False)
Lower bound harmonic function (non-zero when feature < mean)
A score on the distance between the surfaces of two spheres.
Return all close unordered pairs of particles taken from the SingletonContainer.
See IMP.example for more information.
Prevent a set of particles and rigid bodies from inter-penetrating.
Applies a PairScore to each Pair in a list.