IMP.modeller.IMPRestraints Class Reference

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

Inherits EnergyTerm.

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 26 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

particles	A list of the IMP atoms (as Particle objects), same order as the Modeller atoms.
scoring_function	An 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 36 of file modeller/__init__.py.

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

• modeller/__init__.py