LigandDiscoverySearch.hh File Reference

aginsparg, ipatel, sthyme; this script uses a target receptor, list of motifs, and input ligand(s) to attempt to fit ligands against the receptor against a specified residue index More...

#include <core/types.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/chemical/MutableResidueType.fwd.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/chemical/ResidueTypeFinder.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/ScoreFunctionFactory.fwd.hh>
#include <core/id/AtomID.fwd.hh>
#include <protocols/dna/RestrictDesignToProteinDNAInterface.fwd.hh>
#include <protocols/motifs/LigandMotifSearch.fwd.hh>
#include <protocols/motifs/MotifLibrary.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/conformation/Conformation.fwd.hh>
#include <core/chemical/ChemicalManager.fwd.hh>
#include <protocols/motifs/Motif.fwd.hh>
#include <protocols/motifs/MotifHit.fwd.hh>
#include <core/pack/rotamer_set/RotamerSet.fwd.hh>
#include <core/pack/rotamer_set/RotamerSetFactory.fwd.hh>
#include <protocols/motifs/BuildPosition.fwd.hh>
#include <core/scoring/methods/EnergyMethodOptions.fwd.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/scoring/constraints/ConstraintSet.fwd.hh>
#include <protocols/minimization_packing/MinMover.fwd.hh>
#include <core/scoring/Energies.fwd.hh>
#include <core/scoring/EnergyMap.fwd.hh>
#include <core/scoring/hbonds/HBondSet.fwd.hh>
#include <core/chemical/AtomTypeSet.fwd.hh>
#include <core/pose/PDBInfo.fwd.hh>
#include <core/chemical/GlobalResidueTypeSet.fwd.hh>
#include <protocols/dna/PDBOutput.fwd.hh>
#include <protocols/dna/util.hh>
#include <basic/prof.fwd.hh>
#include <basic/Tracer.fwd.hh>
#include <utility/io/ozstream.fwd.hh>
#include <utility/file/FileName.fwd.hh>
#include <utility/vector1.fwd.hh>
#include <utility/excn/Exceptions.fwd.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <queue>
#include <functional>
#include <numeric/xyzVector.fwd.hh>
#include <protocols/ligand_docking/InterfaceScoreCalculator.fwd.hh>
#include <protocols/ligand_docking/MoveMapBuilder.fwd.hh>
#include <protocols/ligand_docking/LigandArea.fwd.hh>
#include <protocols/ligand_docking/InterfaceBuilder.fwd.hh>
#include <core/optimization/MinimizerOptions.fwd.hh>
#include <protocols/ligand_docking/HighResDocker.fwd.hh>
#include <protocols/ligand_docking/LigandDockProtocol.fwd.hh>
#include <core/scoring/func/HarmonicFunc.fwd.hh>
#include <core/chemical/PoseResidueTypeSet.fwd.hh>
#include <ObjexxFCL/FArray1D.fwd.hh>
#include <time.h>
#include <typeinfo>

Classes
class	LigandDiscoverySearch

Detailed Description

aginsparg, ipatel, sthyme; this script uses a target receptor, list of motifs, and input ligand(s) to attempt to fit ligands against the receptor against a specified residue index