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IMP Reference Guide  develop.716bca0a46,2020/04/04
The Integrative Modeling Platform
IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere Class Reference

A class to create an excluded volume restraint for a set of particles at a given resolution. More...

Inherits object.

Detailed Description

A class to create an excluded volume restraint for a set of particles at a given resolution.

Can be initialized as a bipartite restraint between two sets of particles.

Potential additional function: Variable resolution for each PMI object. Perhaps passing selection_tuples

with (PMI_object, resolution)

Note
This class is only available in Python.

Definition at line 167 of file restraints/stereochemistry.py.

Public Member Functions

def __init__
 Constructor. More...
 

Constructor & Destructor Documentation

def IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere.__init__ (   self,
  included_objects,
  other_objects = None,
  resolution = 1000,
  kappa = 1.0 
)

Constructor.

Parameters
included_objectsCan be one of the following inputs: IMP Hierarchy, PMI System/State/Molecule/TempResidue, or a list/set of them
other_objectsInitializes a bipartite restraint between included_objects and other_objects Same format as included_objects
resolutionThe resolution particles at which to impose the restraint. By default, the coarsest particles will be chosen. If a number is chosen, for each particle, the closest resolution will be used (see IMP.atom.Selection).
kappaRestraint strength

Definition at line 178 of file restraints/stereochemistry.py.


The documentation for this class was generated from the following file: