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IMP Reference Guide  2.18.0
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 import sys
7 
8 IMP.setup_from_argv(sys.argv, "excluded volume")
9 
10 (m, c) = IMP.example.create_model_and_particles()
11 
12 # this container lists all pairs that are close at the time of evaluation
16 # use the lower bound on the inter-sphere distance to push the spheres apart
17 nbr = IMP.container.PairsRestraint(sd, nbl)
18 
19 # alternatively, one could just do
21 
22 # get the current score
24 print(sf.evaluate(False))
Lower bound harmonic function (non-zero when feature < mean)
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Create a scoring function on a list of restraints.
A score on the distance between the surfaces of two spheres.
Return all close unordered pairs of particles taken from the SingletonContainer.
Example module.
Prevent a set of particles and rigid bodies from inter-penetrating.
Applies a PairScore to each Pair in a list.