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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...
 
def add_to_model
 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_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

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: