IMP logo
IMP Reference Guide  develop.716bca0a46,2020/04/04
The Integrative Modeling Platform
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 20 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
scaleScale 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 34 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 155 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 159 of file restraints/stereochemistry.py.


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