IMP.pmi.restraints.stereochemistry.ConnectivityRestraint Class Reference

This class creates a restraint between consecutive TempResidue objects OR an entire PMI MOlecule object. More...

Inherits object.

Detailed Description

This class creates a restraint between consecutive TempResidue objects OR an entire PMI MOlecule object.

Note

This class is only available in Python.

Definition at line 21 of file restraints/stereochemistry.py.

Public Member Functions
def	__init__
def	get_num_restraints
	Returns number of connectivity restraints. More...
def	get_particle_pairs
	Returns the list of connected particles pairs. More...

Constructor & Destructor Documentation

def IMP.pmi.restraints.stereochemistry.ConnectivityRestraint.__init__	(		self,
			objects,
			scale = 1.0,
			disorderedlength = False,
			upperharmonic = True,
			resolution = 1,
			label = 'None'
	)

Parameters

objects	- a list of hierarchies, PMI TempResidues OR a single Molecule
scale	Scale the maximal distance between the beads by this factor when disorderedlength is False. The maximal distance is calculated as ((float(residuegap) + 1.0) * 3.6) * scale.
disorderedlength	- This flag uses either disordered length calculated for random coil peptides (True) or zero surface-to-surface distance between beads (False) as optimal distance for the sequence connectivity restraint.
upperharmonic	- This flag uses either harmonic (False) or upperharmonic (True) in the intra-pair connectivity restraint.
resolution	- The resolution to connect things at - only used if you pass PMI objects
label	- A string to identify this restraint in the output/stat file

Definition at line 35 of file restraints/stereochemistry.py.

Member Function Documentation

def IMP.pmi.restraints.stereochemistry.ConnectivityRestraint.get_num_restraints

(

self

)

Returns number of connectivity restraints.

Definition at line 156 of file restraints/stereochemistry.py.

def IMP.pmi.restraints.stereochemistry.ConnectivityRestraint.get_particle_pairs

(

self

)

Returns the list of connected particles pairs.

Definition at line 160 of file restraints/stereochemistry.py.

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

• restraints/stereochemistry.py