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IMP Reference Guide  develop.cc86c9801d,2022/11/22
The Integrative Modeling Platform
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 905 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_tripletsList of lists of 3 particles. Each triplet defines a plane. Dihedrals of adjacent planes in list are scored.
angleAngle of plane dihedral in degrees
kStrength of restraint
labelLabel for output
weightWeight of restraint
Note
Particles defining planes should be rigid and more or less parallel for proper behavior

Definition at line 916 of file restraints/stereochemistry.py.


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