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IMP Reference Guide  develop.c9d213c767,2020/05/28
The Integrative Modeling Platform
IMP.modeller.IMPRestraints Class Reference

A Modeller restraint which evaluates an IMP scoring function. More...

Inherits energy_term.

Detailed Description

A Modeller restraint which evaluates an IMP scoring function.

This can be used to incorporate IMP Restraints into an existing comparative modeling pipeline, or to use Modeller optimizers or protocols.

Note
This class is only available in Python.

Definition at line 375 of file modeller/__init__.py.

Public Member Functions

def __init__
 Constructor. More...
 

Constructor & Destructor Documentation

def IMP.modeller.IMPRestraints.__init__ (   self,
  particles,
  scoring_function = None 
)

Constructor.

Parameters
particlesA list of the IMP atoms (as Particle objects), same order as the Modeller atoms.
scoring_functionAn IMP::ScoringFunction object that will be incorporated into the Modeller score (molpdf).
Note
since Modeller, unlike IMP, is sensitive to the ordering of atoms, it usually makes sense to create the model in Modeller and then use ModelLoader to load it into IMP, since that will preserve the Modeller atom ordering in IMP.

Definition at line 385 of file modeller/__init__.py.


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