Detailed Description

A simple distance restraint.

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

Public Member Functions
def	__init__
	Setup distance restraint. More...

Public Member Functions inherited from IMP.pmi.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.pmi.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

representation	DEPRECATED
tuple_selection1	(resnum, resnum, molecule name, copy number (=0))
tuple_selection2	(resnum, resnum, molecule name, copy number (=0))
distancemin	The minimum dist
distancemax	The maximum dist
resolution	For selecting particles
kappa	The harmonic parameter
root_hier	The hierarchy to select from (use this instead of representation)
label	A unique label to be used in outputs and particle/restraint names
weight	Weight of restraint

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

Definition at line 94 of file restraints/basic.py.

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