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 RestraintBase.

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 147 of file 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,
			label = None
	)

Constructor.

Parameters

included_objects	Can be one of the following inputs: IMP Hierarchy, PMI System/State/Molecule/TempResidue, or a list/set of them
other_objects	Initializes a bipartite restraint between included_objects and other_objects Same format as included_objects
resolution	The 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).
kappa	Restraint strength

Definition at line 160 of file stereochemistry.py.

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

• stereochemistry.py