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GALigandDock.hh File Reference
#include <protocols/ligand_docking/GALigandDock/LigandConformer.hh>
#include <protocols/ligand_docking/GALigandDock/GAOptimizer.hh>
#include <protocols/ligand_docking/GALigandDock/GridScorer.hh>
#include <protocols/ligand_docking/GALigandDock/LigandAligner.hh>
#include <protocols/ligand_docking/GALigandDock/TorsionSampler.hh>
#include <protocols/ligand_docking/GALigandDock/GALigandDock.fwd.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <protocols/moves/Mover.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/io/silent/SilentFileOptions.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <core/io/silent/SilentStruct.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <core/id/AtomID.hh>
#include <utility/vector1.hh>
#include <core/kinematics/FoldTree.hh>
#include <queue>

Classes

struct  protocols::ligand_docking::ga_ligand_dock::StructInfo
 
class  protocols::ligand_docking::ga_ligand_dock::StructInfoComp
 
class  protocols::ligand_docking::ga_ligand_dock::StructInfoCompdH
 
class  protocols::ligand_docking::ga_ligand_dock::OutputStructureStore
 helper class to manage multiple outputs More...
 
class  protocols::ligand_docking::ga_ligand_dock::GALigandDock
 Ligand Docking protocol using Genetic Algorithm. More...
 

Namespaces

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

Typedefs

typedef std::map< std::pair< core::Size, core::Size >, std::vector< core::Size > > protocols::ligand_docking::ga_ligand_dock::HbondMap
 

Enumerations

enum  protocols::ligand_docking::ga_ligand_dock::OptHMode {
  protocols::ligand_docking::ga_ligand_dock::OPTH_NONE , protocols::ligand_docking::ga_ligand_dock::OPTH_FULL , protocols::ligand_docking::ga_ligand_dock::OPTH_NO_FLIP_HNQ , protocols::ligand_docking::ga_ligand_dock::OPTH_FLEXIBLE_SIDECHAINS ,
  protocols::ligand_docking::ga_ligand_dock::OPTH_REDEFINE_SIDECHAINS
}