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IMP Reference Guide  develop.cb469e0f11,2024/05/28
The Integrative Modeling Platform
IMP.pmi1.restraints.basic.ExternalBarrier Class Reference

Restraint to keep all structures inside sphere. More...

+ Inheritance diagram for IMP.pmi1.restraints.basic.ExternalBarrier:

Detailed Description

Restraint to keep all structures inside sphere.

This class is only available in Python.

Definition at line 15 of file /restraints/

Public Member Functions

def __init__
 Setup external barrier restraint. 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.basic.ExternalBarrier.__init__ (   self,
  representation = None,
  radius = 10.0,
  hierarchies = None,
  resolution = 10,
  weight = 1.0,
  center = None,
  label = None 

Setup external barrier restraint.

radiusSize of external barrier
hierarchiesCan be one of the following inputs: IMP Hierarchy, PMI System/State/Molecule/TempResidue, or a list/set of them
resolutionSelect which resolutions to act upon
weightWeight of restraint
centerCenter of the external barrier restraint (IMP.algebra.Vector3D object)
labelA unique label to be used in outputs and particle/restraint names.

Definition at line 27 of file /restraints/

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