pH_docking.cc File Reference

#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/methods/pHEnergy.hh>
#include <core/scoring/Energies.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/util.hh>
#include <core/import_pose/import_pose.hh>
#include <basic/options/option.hh>
#include <devel/init.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <protocols/relax/ClassicRelax.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <protocols/minimization_packing/RotamerTrialsMinMover.hh>
#include <protocols/minimization_packing/RotamerTrialsMover.hh>
#include <protocols/simple_moves/sidechain_moves/SidechainMover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/moves/MoverContainer.hh>
#include <protocols/moves/Mover.hh>
#include <basic/Tracer.hh>
#include <string>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <iostream>
#include <fstream>
#include <utility/string_util.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/JobOutputter.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/rigid/RB_geometry.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <basic/options/keys/pH.OptionKeys.gen.hh>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>

Classes
class	PhDocking

Typedefs
typedef utility::pointer::owning_ptr< PhDocking >	PhDockingOP

Functions
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.pilot.krishna.PhDocking")

Detailed Description

@Use variable protonation states during/after docking

Typedef Documentation

PhDockingOP

typedef utility::pointer::owning_ptr< PhDocking > PhDockingOP

Function Documentation

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, and basic::init().

Variable Documentation

TR

basic::Tracer TR("apps.pilot.krishna.PhDocking") ( "apps.pilot.krishna.PhDocking"  )

static

Referenced by PhDocking::setup_pH_mode().