IMP::modeller::ModellerRestraints Class Reference

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Detailed Description

An IMP restraint using all defined Modeller restraints.

This is useful if you want to use Modeller restraints with an IMP optimizer, or in combination with IMP restraints.

Parameters:

	modeller_model	The Modeller model object.
	particles	A Particles object containing IMP atoms, in the same order as the Modeller atoms.

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.

Currently only the coordinates of the atoms are translated between Modeller and IMP; thus, a Modeller restraint which uses any other attribute (e.g. charge) will not react if this attribute is changed by IMP.

Inheritance diagram for IMP::modeller::ModellerRestraints:

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Public Member Functions
def	unprotected_evaluate

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

• modeller/__init__.py