HbondZincBackbone.cc File Reference

#include <devel/init.hh>
#include <protocols/metal_interface/MatchGrafter.hh>
#include <protocols/metal_interface/ZincSiteFinder.hh>
#include <protocols/metal_interface/MetalSiteResidue.hh>
#include <protocols/metal_interface/AddZincSiteConstraints.hh>
#include <utility/graph/Graph.hh>
#include <core/pack/packer_neighbors.hh>
#include <core/pack/rotamer_set/RotamerSetFactory.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/scoring/constraints/ResidueTypeConstraint.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/types.hh>
#include <protocols/minimization_packing/PackRotamersMover.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/CartesianMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/minimization_packing/MinMover.hh>
#include <protocols/backrub/BackrubMover.hh>
#include <protocols/simple_pose_metric_calculators/NumberHBondsCalculator.hh>
#include <protocols/simple_pose_metric_calculators/BuriedUnsatisfiedPolarsCalculator.hh>
#include <protocols/pose_metric_calculators/NeighborsByDistanceCalculator.hh>
#include <core/pose/metrics/simple_calculators/SasaCalculator.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/import_pose/import_pose.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/AtomType.hh>
#include <basic/MetricValue.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/relax.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <utility/file/FileName.hh>
#include <utility/vector1.hh>
#include <core/scoring/constraints/Func.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <numeric/conversions.hh>

Classes
class	HbondZincBackbone

Typedefs
typedef std::set< core::Size >	SetSize
typedef utility::pointer::owning_ptr< HbondZincBackbone >	HbondZincBackboneOP

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

Variables
static basic::Tracer	TR ("apps.pilot.bder.HbondZincBackbone")
basic::options::FileOptionKey const	scaffold_protein ("scaffold_protein")

Detailed Description

Author

Bryan Der

Typedef Documentation

HbondZincBackboneOP

typedef utility::pointer::owning_ptr< HbondZincBackbone > HbondZincBackboneOP

SetSize

typedef std::set< core::Size > SetSize

Function Documentation

main()

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

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

Variable Documentation

scaffold_protein

basic::options::FileOptionKey const scaffold_protein("scaffold_protein")

(

"scaffold_protein"

)

Referenced by HbondZincBackbone::graft_match(), and main().

TR

basic::Tracer TR("apps.pilot.bder.HbondZincBackbone") ( "apps.pilot.bder.HbondZincBackbone"  )

static

Referenced by HbondZincBackbone::apply(), HbondZincBackbone::carbonyl_hbond_search(), HbondZincBackbone::find_zinc(), HbondZincBackbone::graft_match(), main(), and HbondZincBackbone::repack().