LK_DomeEnergy.cc File Reference

lk_dome second shell water interactions More...

#include <core/scoring/lkball/LK_DomeEnergy.hh>
#include <core/scoring/lkball/LK_DomeEnergyCreator.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/DerivVectorPair.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/MinimizationData.hh>
#include <core/conformation/residue_datacache.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/scoring/etable/Etable.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/dna.OptionKeys.gen.hh>
#include <numeric/conversions.hh>
#include <numeric/interpolation/spline/SplineGenerator.hh>
#include <numeric/interpolation/spline/SimpleInterpolator.hh>
#include <numeric/numeric.functions.hh>
#include <core/scoring/ResidueNeighborList.hh>
#include <utility/vector1.hh>
#include <utility/pointer/memory.hh>
#include <utility/graph/Graph.hh>

Classes
class	core::scoring::lkball::LK_DomeInvoker
class	core::scoring::lkball::LK_Dome_RPE_Invoker
class	core::scoring::lkball::LKD_ResPairMinData

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring
	core::scoring::lkball

Typedefs
using	core::scoring::lkball::LKD_ResPairMinDataOP = utility::pointer::shared_ptr< LKD_ResPairMinData >
using	core::scoring::lkball::LKD_ResPairMinDataCOP = utility::pointer::shared_ptr< const LKD_ResPairMinData >

Functions
static basic::Tracer	TR ("core.scoring.methods.LK_DomeEnergy")
void	core::scoring::lkball::evaluate_lk_dome_energy_for_atom_ranges (LK_DomeEnergy const &lk_dome, conformation::Residue const &rsd1, LKD_ResidueInfo const &rsd1_info, conformation::Residue const &rsd2, LKD_ResidueInfo const &rsd2_info, ScoreFunction const &sfxn, etable::count_pair::CountPairFunction const &cpfxn, Size const res1_start_atom, Size const res1_end_atom, Size const res2_start_atom, Size const res2_end_atom, EnergyMap &emap)
Real	core::scoring::lkball::cubed_root (Real val)
LKD_ResidueInfo const &	core::scoring::lkball::retrieve_lkd_resdata (conformation::Residue const &res)

Detailed Description

lk_dome second shell water interactions

Author

Brian Coventry (bcov@.nosp@m.uw.e.nosp@m.du)

Function Documentation

TR()

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

static