IMP.pmi.restraints.stereochemistry.PlaneDihedralRestraint Class Reference

Restrain the dihedral between planes defined by three particles. More...

Inherits RestraintBase.

Detailed Description

Restrain the dihedral between planes defined by three particles.

This restraint is useful for restraining the twist of a string of more or less identical rigid bodies, so long as the curvature is mild.

Note

This class is only available in Python.

Definition at line 1064 of file restraints/stereochemistry.py.

Public Member Functions
def	__init__
	Constructor. More...

Constructor & Destructor Documentation

def IMP.pmi.restraints.stereochemistry.PlaneDihedralRestraint.__init__	(		self,
			particle_triplets,
			angle = 0.0,
			k = 1.0,
			label = None,
			weight = 1.0
	)

Constructor.

Parameters

particle_triplets	List of lists of 3 particles. Each triplet defines a plane. Dihedrals of adjacent planes in list are scored.
angle	Angle of plane dihedral in degrees
k	Strength of restraint
label	Label for output
weight	Weight of restraint

Note

Particles defining planes should be rigid and more or less parallel for proper behavior

Definition at line 1075 of file restraints/stereochemistry.py.

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

• restraints/stereochemistry.py