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VdWTinkerEnergy.cc File Reference

VdW treatment using buffered 14-7 approach in Tinker/Amoeba. More...

#include <core/energy_methods/VdWTinkerEnergy.hh>
#include <core/energy_methods/VdWTinkerEnergyCreator.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/VdWTinkerPotential.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/MinimizationData.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/DenseEnergyContainer.hh>
#include <basic/datacache/CacheableData.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <basic/prof.hh>
#include <basic/Tracer.hh>
#include <core/pose/Pose.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/conformation/RotamerSetBase.hh>
#include <core/conformation/RotamerSetCacheableDataType.hh>
#include <numeric/xyz.io.hh>
#include <utility/vector1.hh>

Classes

class  core::energy_methods::VdWTinkerResPairMinData
 

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::energy_methods
 

Typedefs

using core::energy_methods::VdWTinkerResPairMinDataOP = utility::pointer::shared_ptr< VdWTinkerResPairMinData >
 
using core::energy_methods::VdWTinkerResPairMinDataCOP = utility::pointer::shared_ptr< const VdWTinkerResPairMinData >
 

Functions

static basic::Tracer TR ("core.energy_methods.VdWTinkerEnergy")
 
core::scoring::VdWTinkerResidueInfo
const & 
core::energy_methods::retrieve_vdw_residue_info (pose::Pose const &pose, Size const seqpos)
 
core::scoring::VdWTinkerResidueInfocore::energy_methods::retrieve_nonconst_vdw_residue_info (pose::Pose &pose, Size const seqpos)
 
VdWTinkerResPairMinData & core::energy_methods::retrieve_nonconst_vdw_pairdata (core::scoring::ResPairMinimizationData &pairdata)
 
VdWTinkerResPairMinData const & core::energy_methods::retrieve_vdw_pairdata (core::scoring::ResPairMinimizationData const &pairdata)
 
core::scoring::VdWTinkerResidueInfocore::energy_methods::retrieve_nonconst_vdw_resdata (core::scoring::ResSingleMinimizationData &resdata)
 
core::scoring::VdWTinkerResidueInfo
const & 
core::energy_methods::retrieve_vdw_resdata (core::scoring::ResSingleMinimizationData const &resdata)
 
core::scoring::VdWTinkerResidueInfoCOP core::energy_methods::retrieve_vdw_resdata_ptr (core::scoring::ResSingleMinimizationData const &resdata)
 

Detailed Description

VdW treatment using buffered 14-7 approach in Tinker/Amoeba.

Author
Jim Havranek

Function Documentation

static basic::Tracer TR ( "core.energy_methods.VdWTinkerEnergy"  )
static