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LigandDockProtocol.cc File Reference
#include <protocols/ligand_docking/LigandDockProtocol.hh>
#include <core/types.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <utility/graph/Graph.hh>
#include <core/grid/CartGrid.hh>
#include <core/kinematics/Edge.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/Jump.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <basic/options/option.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/palette/NoDesignPackerPalette.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/sasa.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/pack/dunbrack/RotamerConstraint.hh>
#include <basic/prof.hh>
#include <basic/Tracer.hh>
#include <basic/MetricValue.hh>
#include <core/util/SwitchResidueTypeSet.hh>
#include <protocols/docking/DockingInitialPerturbation.hh>
#include <protocols/rigid/RB_geometry.hh>
#include <protocols/ligand_docking/grid_functions.hh>
#include <protocols/ligand_docking/ligand_functions.hh>
#include <protocols/ligand_docking/LigandBaseProtocol.hh>
#include <protocols/ligand_docking/RandomConformerMover.hh>
#include <protocols/ligand_docking/ResidueTorsionRestraints.hh>
#include <protocols/ligand_docking/UnconstrainedTorsionsMover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/minimization_packing/RotamerTrialsMover.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <protocols/moves/TrialMover.hh>
#include <protocols/moves/JumpOutMover.hh>
#include <protocols/simple_pose_metric_calculators/BuriedUnsatisfiedPolarsCalculator.hh>
#include <protocols/relax/loop/LoopRelaxMover.hh>
#include <protocols/loops/loops_main.hh>
#include <numeric/conversions.hh>
#include <numeric/random/random.hh>
#include <numeric/xyzVector.io.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/string.functions.hh>
#include <utility/exit.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.hh>
#include <utility/pointer/owning_ptr.hh>
#include <utility/tools/make_vector1.hh>
#include <fstream>
#include <sstream>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <basic/options/keys/enzdes.OptionKeys.gen.hh>
#include <basic/options/keys/loops.OptionKeys.gen.hh>
#include <core/pose/Pose.hh>
#include <protocols/toolbox/match_enzdes_util/EnzConstraintIO.hh>
#include <utility/vector0.hh>

Namespaces

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

Functions

static basic::Tracer protocols::ligand_docking::TR ("protocols.ligand_docking.LigandDockProtocol")
 
core::Size protocols::ligand_docking::count_buried_unsat_Hbonds (core::pose::Pose const &pose)
 Helper function to tame the PoseMetricCalculator madness. More...
 
void protocols::ligand_docking::print_buried_unsat_Hbonds (core::pose::Pose const &bound, core::pose::Pose const &unbound)
 Because inquiring minds want to know: what Hbonds are precluded by this docking? More...
 

Detailed Description

Author
Ian W. Davis