Rosetta  2021.16
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GridScorer.cc File Reference
#include <protocols/ligand_docking/GALigandDock/GridScorer.hh>
#include <protocols/ligand_docking/GALigandDock/GriddedAtomTreeMultifunc.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/chemical/util.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueProperties.hh>
#include <core/chemical/ResidueConnection.hh>
#include <core/conformation/Atom.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/Minimizer.hh>
#include <core/conformation/residue_datacache.hh>
#include <core/pack/optimizeH.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/disulfides/DisulfideAtomIndices.hh>
#include <core/scoring/disulfides/FullatomDisulfidePotential.hh>
#include <core/scoring/etable/Etable.hh>
#include <core/scoring/elec/FA_ElecEnergy.hh>
#include <core/energy_methods/CartesianBondedEnergy.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/MinimizationGraph.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/scoring/hbonds/constants.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 <protocols/relax/FastRelax.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/random/random.functions.hh>
#include <numeric/random/random.hh>
#include <utility/vector1.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/dna.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <ObjexxFCL/FArray3D.hh>
#include <ObjexxFCL/format.hh>

Namespaces

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

Functions

static basic::Tracer protocols::ligand_docking::ga_ligand_dock::TR ("protocols.ligand_docking.GALigandDock.GridScorer")
 
core::Real protocols::ligand_docking::ga_ligand_dock::ipow (core::Real base, core::Size exp)
 
core::Real protocols::ligand_docking::ga_ligand_dock::xform_rep (core::Real rep)
 
core::Real protocols::ligand_docking::ga_ligand_dock::ixform_rep (core::Real xfrep)
 
core::Real protocols::ligand_docking::ga_ligand_dock::dxform_rep (core::Real xfrep)
 
core::Real protocols::ligand_docking::ga_ligand_dock::xform_atr (core::Real atr)
 
core::Real protocols::ligand_docking::ga_ligand_dock::ixform_atr (core::Real xfatr)
 
core::Real protocols::ligand_docking::ga_ligand_dock::dxform_atr (core::Real)
 
core::Real protocols::ligand_docking::ga_ligand_dock::get_hbond_score_weighted (core::scoring::ScoreFunctionOP sf, core::scoring::hbonds::HBondDatabaseCOP database, core::scoring::hbonds::HBondOptions const &hbopt, core::scoring::hbonds::HBEvalTuple const &hbt, numeric::xyzVector< core::Real > const &D, numeric::xyzVector< core::Real > const &H, numeric::xyzVector< core::Real > const &A, numeric::xyzVector< core::Real > const &B, numeric::xyzVector< core::Real > const &B_0)
 

Detailed Description

Author
Hahnbeom Park and Frank DiMaio