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

A simple distance restraint. More...

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

Detailed Description

A simple distance restraint.

Note
This class is only available in Python.

Definition at line 76 of file /restraints/basic.py.

Public Member Functions

def __init__
 Setup distance 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.DistanceRestraint.__init__ (   self,
  representation = None,
  tuple_selection1 = None,
  tuple_selection2 = None,
  distancemin = 0,
  distancemax = 100,
  resolution = 1.0,
  kappa = 1.0,
  root_hier = None,
  label = None,
  weight = 1.0 
)

Setup distance restraint.

Parameters
representationDEPRECATED
tuple_selection1(resnum, resnum, molecule name, copy number (=0))
tuple_selection2(resnum, resnum, molecule name, copy number (=0))
distanceminThe minimum dist
distancemaxThe maximum dist
resolutionFor selecting particles
kappaThe harmonic parameter
root_hierThe hierarchy to select from (use this instead of representation)
labelA unique label to be used in outputs and particle/restraint names
weightWeight of restraint

ote Pass the same resnum twice to each tuple_selection. Optionally add a copy number (PMI2 only)

Definition at line 96 of file /restraints/basic.py.


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