khXtal_water_bunsat.cc File Reference

#include <iomanip>
#include <devel/init.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/moves/Mover.hh>
#include <core/pose/metrics/simple_calculators/SasaCalculatorLegacy.hh>
#include <devel/vardist_solaccess/VarSolDRotamerDots.hh>
#include <devel/vardist_solaccess/LoadVarSolDistSasaCalculatorMover.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/AtomType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/MetricValue.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <utility/file/FileName.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <core/import_pose/import_pose.hh>
#include <basic/options/keys/pose_metrics.OptionKeys.gen.hh>

Classes
class	xtal_water_bunsat

Typedefs
typedef numeric::xyzVector< core::Real >	point
typedef utility::pointer::owning_ptr< xtal_water_bunsat >	xtal_water_bunsatOP

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

Variables
static basic::Tracer	TR ("apps.pilot.kevin.khxtal_water_bunsat")
basic::options::BooleanOptionKey const	use_varsoldist_sasa_calc ("use_varsoldist_sasa_calc")
basic::options::BooleanOptionKey const	water_dist_H ("water_dist_H_cutoff")
basic::options::BooleanOptionKey const	water_dist_O ("water_dist_O_cutoff")

Typedef Documentation

point

typedef numeric::xyzVector<core::Real> point

xtal_water_bunsatOP

typedef utility::pointer::owning_ptr< xtal_water_bunsat > xtal_water_bunsatOP

Function Documentation

main()

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

References argv, test.T009_Exceptions::e, basic::init(), basic::options::option, option, TR, use_varsoldist_sasa_calc, water_dist_H, and water_dist_O.

Variable Documentation

TR

basic::Tracer TR("apps.pilot.kevin.khxtal_water_bunsat") ( "apps.pilot.kevin.khxtal_water_bunsat"  )

static

Referenced by xtal_water_bunsat::apply(), main(), and xtal_water_bunsat::report_sasa_if_contacting_water().

use_varsoldist_sasa_calc

basic::options::BooleanOptionKey const use_varsoldist_sasa_calc("use_varsoldist_sasa_calc")

(

"use_varsoldist_sasa_calc"

)

Referenced by xtal_water_bunsat::apply(), and main().

water_dist_H

basic::options::BooleanOptionKey const water_dist_H("water_dist_H_cutoff")

(

"water_dist_H_cutoff"

)

Referenced by xtal_water_bunsat::apply(), and main().

water_dist_O

basic::options::BooleanOptionKey const water_dist_O("water_dist_O_cutoff")

(

"water_dist_O_cutoff"

)

Referenced by xtal_water_bunsat::apply(), and main().