mp_scoring_feature_reporter.cc File Reference

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/types.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/scoring/sasa.hh>
#include <core/scoring/sasa/SasaCalc.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <core/conformation/PointGraphData.hh>
#include <utility/graph/UpperEdgeGraph.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/MembranePotential.hh>
#include <core/scoring/membrane/MPEnvEnergy.hh>
#include <core/scoring/Energies.hh>
#include <basic/Tracer.hh>
#include <numeric/xyzVector.hh>
#include <cstdlib>
#include <algorithm>

Functions
core::Real	compute_sasa (core::pose::PoseOP pose, core::Size resnum)
	Compute Sasa. More...
core::Size	compute_5layer_designation (core::Real z_coord)
	Compute 5 Layer Designation. More...
core::Size	compute_2layer_designation (core::Real z_coord)
	Compute Two Layer Designation. More...
utility::vector1< core::Size >	compute_sixAneighbors (core::Size resnum, core::conformation::PointGraphOP pg)
	Compute Per-Residue Neighbors within 6A Radii. More...
utility::vector1< core::Size >	compute_tenAneighbors (core::Size resnum, core::conformation::PointGraphOP pg)
	Compute Per-Residue Neighbors within 10A Radii. More...
utility::vector1< core::Size >	compute_twelveAneighbors (core::Size resnum, core::conformation::PointGraphOP pg)
	Compute Per-Residue Neighbors within 10A Radii. More...
int	main (int argc, char *argv[])
	Main Function. More...

Variables
static basic::Tracer	TR ("mp_scoring_features_reporter")

Function Documentation

compute_2layer_designation()

core::Size compute_2layer_designation

(

core::Real

z_coord

)

Compute Two Layer Designation.

Referenced by main().

compute_5layer_designation()

core::Size compute_5layer_designation

(

core::Real

z_coord

)

Compute 5 Layer Designation.

Referenced by main().

compute_sasa()

core::Real compute_sasa	(	core::pose::PoseOP	pose,
		core::Size	resnum
	)

Compute Sasa.

References beta_nonlocal::pose, predPRE::resnum, and basic::options::OptionKeys::AnchoredDesign::filters::sasa.

Referenced by main(), output_packstat(), output_packstat_pdb(), and sheffler_voids().

compute_sixAneighbors()

utility::vector1< core::Size > compute_sixAneighbors	(	core::Size	resnum,
		core::conformation::PointGraphOP	pg
	)

Compute Per-Residue Neighbors within 6A Radii.

References predPRE::resnum, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by main().

compute_tenAneighbors()

utility::vector1< core::Size > compute_tenAneighbors	(	core::Size	resnum,
		core::conformation::PointGraphOP	pg
	)

Compute Per-Residue Neighbors within 10A Radii.

References predPRE::resnum, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by main().

compute_twelveAneighbors()

utility::vector1< core::Size > compute_twelveAneighbors	(	core::Size	resnum,
		core::conformation::PointGraphOP	pg
	)

Compute Per-Residue Neighbors within 10A Radii.

References predPRE::resnum, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by main().

main()

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

Main Function.

References argv, compute_2layer_designation(), compute_5layer_designation(), compute_sasa(), compute_sixAneighbors(), compute_tenAneighbors(), compute_twelveAneighbors(), utility::io::oc::cout, test.T009_Exceptions::e, create_a3b_hbs::i, basic::init(), surface_app::native, option, clean_pdb_keep_ligand::pdbfile, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file(), basic::options::OptionKeys::AnchoredDesign::filters::sasa, and TR.

Variable Documentation

TR

basic::Tracer TR("mp_scoring_features_reporter") ( "mp_scoring_features_reporter"  )

static

Referenced by main().