pH_protocol.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/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <basic/options/option.hh>
#include <devel/init.hh>
#include <core/conformation/Residue.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/moves/MoverContainer.hh>
#include <protocols/moves/Mover.hh>
#include <basic/Tracer.hh>
#include <string>
#include <utility/vector1.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 <core/io/pdb/pdb_writer.hh>
#include <utility/io/ozstream.hh>
#include <utility/string_util.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <basic/options/keys/pH.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/kinematics/Jump.hh>
#include <utility/vector0.hh>

Classes
class	PhProtocol

Typedefs
using	PhProtocolOP = utility::pointer::shared_ptr< PhProtocol >

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

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

Detailed Description

the pKa value for a residue

Typedef Documentation

using PhProtocolOP = utility::pointer::shared_ptr<PhProtocol>

Function Documentation

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

References utility::io::oc::cout, test.T009_Exceptions::e, devel::init(), and utility::excn::Exception::msg().

Variable Documentation

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

static

Referenced by PhProtocol::apply(), PhProtocol::prepack_pose(), PhProtocol::relax_pose(), and PhProtocol::titrate_pH().