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StandardRDFFunctions.hh File Reference

headers for standard RDF Functions used by RosettaHTS More...

#include <protocols/ligand_docking/rdf/StandardRDFFunctions.fwd.hh>
#include <protocols/ligand_docking/rdf/RDFFunctionCreator.hh>
#include <protocols/ligand_docking/rdf/RDFBase.hh>
#include <core/scoring/etable/coulomb/Coulomb.fwd.hh>
#include <core/scoring/etable/EtableEnergy.fwd.hh>
#include <core/scoring/hbonds/HBondSet.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/orbitals/OrbitalsScore.fwd.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>

Classes

class  protocols::ligand_docking::rdf::RDFEtableCreator
 Creator to geneate a new RDFEtableFunction. More...
 
class  protocols::ligand_docking::rdf::RDFEtableFunction
 RDFEtableFunction computes fa_sol,fa_rep,fa_atr for a pair of atoms. More...
 
class  protocols::ligand_docking::rdf::RDFElecCreator
 Creator to geneate a new RDFElecFunction. More...
 
class  protocols::ligand_docking::rdf::RDFElecFunction
 RDFElecFunction computes fa_elec for a pair of atoms. More...
 
class  protocols::ligand_docking::rdf::RDFChargeCreator
 Creator to geneate a new RDFChargeFunction. More...
 
class  protocols::ligand_docking::rdf::RDFChargeFunction
 RDFChargeFunction computes fa_elec for a pair of atoms. More...
 
class  protocols::ligand_docking::rdf::RDFHbondCreator
 Creator to geneate a new RDFHbondFunction. More...
 
class  protocols::ligand_docking::rdf::RDFHbondFunction
 RDFHbondFunction computes h-bonding energy for a pair of atoms. More...
 
class  protocols::ligand_docking::rdf::RDFBinaryHbondCreator
 Creator to geneate a new RDFBinaryHbondFunction. More...
 
class  protocols::ligand_docking::rdf::RDFBinaryHbondFunction
 RDFBinaryHbondFunction returns 1.0 if a pair of atoms are donor and acceptor, 0.0 otherwise. More...
 
class  protocols::ligand_docking::rdf::RDFOrbitalFunctionCreator
 Creator to geneate a new RDFOrbitalFunction. More...
 
class  protocols::ligand_docking::rdf::RDFOrbitalFunction
 RDFOrbitalFunction computes the orbital score energies of a pair of atoms. More...
 
class  protocols::ligand_docking::rdf::RDFBinaryOrbitalFunctionCreator
 Creator to geneate a new RDFBinaryOrbitalFunction. More...
 
class  protocols::ligand_docking::rdf::RDFBinaryOrbitalFunction
 RDFBinaryOrbitalFunction returns 1 for various orbital pairs and 0 otherwise. More...
 

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::ligand_docking
 
 protocols::ligand_docking::rdf
 

Detailed Description

headers for standard RDF Functions used by RosettaHTS

Author
Sam DeLuca