ZincMatchFilter.cc File Reference

This application is designed to help filter through the matches from RosettaMatch. It calculates some of the geometry about the metal atom (currently the metal-ligand atom distances and the tetrahedral coordinations six ligand-metal-ligand angles (all of which should be 109.5). It also outputs a sum of squares for those values. More...

#include <devel/metal_interface/FindClosestAtom.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/conformation/Residue.hh>
#include <protocols/moves/Mover.hh>
#include <numeric/xyzVector.hh>
#include <numeric/conversions.hh>
#include <numeric/xyz.functions.hh>
#include <devel/init.hh>
#include <core/types.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <core/import_pose/import_pose.hh>
#include <math.h>

Classes
class	ZincMatchFilter

Typedefs
typedef numeric::xyzVector< core::Real >	point
typedef point	axis
typedef utility::pointer::owning_ptr< ZincMatchFilter >	ZincMatchFilterOP

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

Variables
static basic::Tracer	TR ("apps.pilot.rjha.ZincMatchFilter")

Detailed Description

This application is designed to help filter through the matches from RosettaMatch. It calculates some of the geometry about the metal atom (currently the metal-ligand atom distances and the tetrahedral coordinations six ligand-metal-ligand angles (all of which should be 109.5). It also outputs a sum of squares for those values.

Author

Steven Lewis and Bryan Der

Typedef Documentation

axis

typedef point axis

point

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

ZincMatchFilterOP

typedef utility::pointer::owning_ptr< ZincMatchFilter > ZincMatchFilterOP

Function Documentation

main()

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

References argv, test.T009_Exceptions::e, basic::init(), and TR.

Variable Documentation

TR

basic::Tracer TR("apps.pilot.rjha.ZincMatchFilter") ( "apps.pilot.rjha.ZincMatchFilter"  )

static

Referenced by main().