backside_hbond_finder.cc File Reference

#include <devel/init.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <core/util/metalloproteins_util.hh>
#include <core/select/residue_selector/ResidueNameSelector.hh>
#include <core/select/util/SelectResiduesByLayer.hh>
#include <core/scoring/hbonds/HBondEnergy.hh>
#include <core/scoring/etable/EtableEnergy.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/sasa/SasaCalc.hh>
#include <core/pack/rotamers/SingleResidueRotamerLibrary.fwd.hh>
#include <core/pack/rotamers/SingleResidueRotamerLibraryFactory.hh>
#include <core/pack/dunbrack/DunbrackRotamer.hh>
#include <core/pack/dunbrack/SingleResidueDunbrackLibrary.hh>
#include <core/pack/dunbrack/RotamerLibraryScratchSpace.fwd.hh>
#include <core/pose/Pose.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/AtomGraph.hh>
#include <core/conformation/AtomGraphData.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <core/conformation/util.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/id/AtomID.hh>
#include <core/types.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/vector1.hh>
#include <utility/fixedsizearray1.hh>

Classes
struct	local::HbondInfo
class	BacksideHbondFinderMover

Namespaces
	local

Typedefs
typedef utility::pointer::shared_ptr< BacksideHbondFinderMover >	BacksideHbondFinderMoverOP
typedef utility::pointer::shared_ptr< BacksideHbondFinderMover const >	BacksideHbondFinderMoverCOP

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

Variables
static basic::Tracer	TR ("apps.pilot.guffysl.backside_hbond_finder")
basic::options::RealOptionKey const	local::atom_sasa_cutoff ("atom_sasa_cutoff")
basic::options::RealOptionKey const	local::neighbor_distance_cutoff ("neighbor_distance_cutoff")

Typedef Documentation

BacksideHbondFinderMoverCOP

typedef utility::pointer::shared_ptr< BacksideHbondFinderMover const > BacksideHbondFinderMoverCOP

BacksideHbondFinderMoverOP

typedef utility::pointer::shared_ptr< BacksideHbondFinderMover > BacksideHbondFinderMoverOP

Function Documentation

main()

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

References utility::options::OptionCollection::add(), argv, local::atom_sasa_cutoff, utility::options::ScalarOption_T_< K, T >::def(), test.T009_Exceptions::e, basic::init(), local::neighbor_distance_cutoff, and basic::options::option.

Variable Documentation

TR

basic::Tracer TR("apps.pilot.guffysl.backside_hbond_finder") ( "apps.pilot.guffysl.backside_hbond_finder"  )

static

Referenced by BacksideHbondFinderMover::apply(), BacksideHbondFinderMover::check_for_hbonds(), and BacksideHbondFinderMover::mutate_residue().