IMP Reference Guide  develop.cc86c9801d,2022/11/22 The Integrative Modeling Platform
IMP.pmi1.restraints.stereochemistry.PlaneDihedralRestraint Class Reference

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

Inheritance diagram for IMP.pmi1.restraints.stereochemistry.PlaneDihedralRestraint:

## 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 1342 of file /restraints/stereochemistry.py.

## Public Member Functions

def __init__
Constructor. More...

Public Member Functions inherited from IMP.pmi1.restraints.RestraintBase
def __init__
Constructor. More...

Add the restraint to the model. More...

def evaluate
Evaluate the score of the restraint. More...

def get_output
Get outputs to write to stat files. More...

def get_particles_to_sample
Get any created particles which should be sampled. More...

def get_restraint
Get the primary restraint set. More...

def get_restraint_for_rmf
Get the restraint for visualization in an RMF file. More...

def get_restraint_set
Get the primary restraint set. More...

def set_label
Set the unique label used in outputs and particle/restraint names. More...

def set_weight
Set the weight to apply to all internal restraints. More...

## Constructor & Destructor Documentation

 def IMP.pmi1.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

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

Definition at line 1355 of file /restraints/stereochemistry.py.

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