LK_BallEnergy.cc File Reference

#include <core/scoring/methods/ContextDependentLRTwoBodyEnergy.hh>
#include <core/scoring/GenBornPotential.fwd.hh>
#include <core/scoring/methods/LK_BallEnergy.hh>
#include <core/scoring/methods/LK_BallEnergyCreator.hh>
#include <core/scoring/methods/LK_BallInfo.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/NeighborList.hh>
#include <core/scoring/ResidueNeighborList.hh>
#include <core/scoring/MinimizationData.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/DerivVectorPair.hh>
#include <core/scoring/etable/Etable.hh>
#include <core/scoring/etable/count_pair/CountPairFunction.hh>
#include <core/scoring/etable/count_pair/CountPairFactory.hh>
#include <core/scoring/etable/count_pair/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/RotamerSetBase.hh>
#include <core/conformation/RotamerSetCacheableDataType.hh>
#include <core/chemical/AtomType.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <basic/options/util.hh>
#include <basic/options/keys/dna.OptionKeys.gen.hh>
#include <basic/prof.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <basic/Tracer.hh>
#include <numeric/constants.hh>
#include <numeric/xyz.functions.hh>
#include <utility/vector1.functions.hh>

Classes
class	core::scoring::methods::LKB_ResPairMinData

Namespaces
	core
	A class for defining atom parameters, known as atom_types.
	core::scoring
	core::scoring::methods

Typedefs
typedef utility::pointer::owning_ptr < LKB_ResPairMinData >	core::scoring::methods::LKB_ResPairMinDataOP
typedef utility::pointer::owning_ptr < LKB_ResPairMinData const >	core::scoring::methods::LKB_ResPairMinDataCOP

Functions
LKB_RotamerSetInfo const &	core::scoring::methods::retrieve_lkb_rotamer_set_info (conformation::RotamerSetBase const &set)
	inline retrieval functions here: More...
LKB_ResidueInfo const &	core::scoring::methods::retrieve_lkb_residue_info (pose::Pose const &pose, Size const seqpos)
LKB_ResidueInfo &	core::scoring::methods::retrieve_nonconst_lkb_residue_info (pose::Pose &pose, Size const seqpos)
LKB_ResPairMinData &	core::scoring::methods::retrieve_nonconst_lkb_pairdata (ResPairMinimizationData &pairdata)
LKB_ResPairMinData const &	core::scoring::methods::retrieve_lkb_pairdata (ResPairMinimizationData const &pairdata)
LKB_ResidueInfo &	core::scoring::methods::retrieve_nonconst_lkb_resdata (ResSingleMinimizationData &resdata)
LKB_ResidueInfo const &	core::scoring::methods::retrieve_lkb_resdata (ResSingleMinimizationData const &resdata)
LKB_ResidueInfoCOP	core::scoring::methods::retrieve_lkb_resdata_ptr (ResSingleMinimizationData const &resdata)
void	core::scoring::methods::compute_and_store_pose_waters (pose::Pose &pose)
scoring::etable::count_pair::CPCrossoverBehavior	core::scoring::methods::determine_crossover_behavior (conformation::Residue const &res1, conformation::Residue const &res2, bool const use_intra_dna_cp_crossover_4)
Size	core::scoring::methods::get_parallel_h_for_arg (chemical::ResidueType const &rsd_type, Size const hatm)
void	core::scoring::methods::apply_lk_ball_fraction_weight_for_hbonds (Size const hatm, conformation::Residue const &don_rsd, Size const aatm, conformation::Residue const &acc_rsd, Vector const &hatm_xyz, Vector const &datm_xyz, Real &unweighted_energy, bool const evaluate_derivative, hbonds::HBondDerivs &hbderivs, Real &don_lk_fraction, Real &acc_lk_fraction)
	this is a helper function for hbonds More...

Variables
static basic::Tracer	core::scoring::methods::TR ("core.scoring.methods.LK_BallEnergy")