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 <core/graph/Graph.hh>
#include <core/grid/CartGrid.hh>
#include <core/kinematics/Edge.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <basic/options/option.hh>
#include <core/pack/task/PackerTask.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 <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/simple_moves/MinMover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/simple_moves/PackRotamersMover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/simple_moves/RotamerTrialsMover.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <protocols/moves/TrialMover.hh>
#include <protocols/moves/JumpOutMover.hh>
#include <protocols/toolbox/pose_metric_calculators/BuriedUnsatisfiedPolarsCalculator.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 <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 thread_local 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