Package rosetta :: Package protocols :: Package ligand_docking :: Package rdf :: Module _protocols_ligand_docking_rdf_

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Module _protocols_ligand_docking_rdf_

Classes

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AtomPairData
a simple struct for storing information needed to compute an RDF interaction

AtomPairDataAP

AtomPairDataCAP

RDFBase
protocols/ligand_docking/rdf/RDFBase.hh:80

RDFBaseAP

RDFBaseCAP

RDFBinaryHbondCreator
Creator to geneate a new RDFBinaryHbondFunction

RDFBinaryHbondCreatorAP

RDFBinaryHbondCreatorCAP

RDFBinaryHbondFunction
RDFBinaryHbondFunction returns 1.0 if a pair of atoms are donor and acceptor, 0.0 otherwise.

RDFBinaryHbondFunctionAP

RDFBinaryHbondFunctionCAP

RDFBinaryOrbitalFunction
RDFBinaryOrbitalFunction returns 1 for various orbital pairs and 0 otherwise

RDFBinaryOrbitalFunctionAP

RDFBinaryOrbitalFunctionCAP

RDFBinaryOrbitalFunctionCreator
Creator to geneate a new RDFBinaryOrbitalFunction

RDFBinaryOrbitalFunctionCreatorAP

RDFBinaryOrbitalFunctionCreatorCAP

RDFChargeCreator
Creator to geneate a new RDFChargeFunction

RDFChargeCreatorAP

RDFChargeCreatorCAP

RDFChargeFunction
RDFChargeFunction computes fa_elec for a pair of atoms

RDFChargeFunctionAP

RDFChargeFunctionCAP

RDFElecCreator
Creator to geneate a new RDFElecFunction

RDFElecCreatorAP

RDFElecCreatorCAP

RDFElecFunction
RDFElecFunction computes fa_elec for a pair of atoms

RDFElecFunctionAP

RDFElecFunctionCAP

RDFEtableCreator
Creator to geneate a new RDFEtableFunction

RDFEtableCreatorAP

RDFEtableCreatorCAP

RDFEtableFunction
RDFEtableFunction computes fa_sol,fa_rep,fa_atr for a pair of atoms

RDFEtableFunctionAP

RDFEtableFunctionCAP

RDFFunctionCreator
The Creator class is responsible for creating a particular RDF Function class.

RDFFunctionCreatorAP

RDFFunctionCreatorCAP

RDFFunctionFactory
Create RDFFunctions

RDFFunctionFactoryAP

RDFFunctionFactoryCAP

RDFHbondCreator
Creator to geneate a new RDFHbondFunction

RDFHbondCreatorAP

RDFHbondCreatorCAP

RDFHbondFunction
RDFHbondFunction computes h-bonding energy for a pair of atoms.

RDFHbondFunctionAP

RDFHbondFunctionCAP

RDFOrbitalFunction
RDFOrbitalFunction computes the orbital score energies of a pair of atoms

RDFOrbitalFunctionAP

RDFOrbitalFunctionCAP

RDFOrbitalFunctionCreator
Creator to geneate a new RDFOrbitalFunction

RDFOrbitalFunctionCreatorAP

RDFOrbitalFunctionCreatorCAP

__CPP_RDFBase__

__CPP_RDFBinaryHbondCreator__

__CPP_RDFBinaryHbondFunction__

__CPP_RDFBinaryOrbitalFunctionCreator__

__CPP_RDFBinaryOrbitalFunction__

__CPP_RDFChargeCreator__

__CPP_RDFChargeFunction__

__CPP_RDFElecCreator__

__CPP_RDFElecFunction__

__CPP_RDFEtableCreator__

__CPP_RDFEtableFunction__

__CPP_RDFFunctionCreator__

__CPP_RDFHbondCreator__

__CPP_RDFHbondFunction__

__CPP_RDFOrbitalFunctionCreator__

__CPP_RDFOrbitalFunction__

Variables

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__package__ = None