density_res_zscores.cc File Reference

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/import_pose/pose_stream/PDBPoseInputStream.hh>
#include <core/import_pose/import_pose.hh>
#include <core/chemical/Atom.hh>
#include <core/chemical/AtomType.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/util.hh>
#include <protocols/electron_density/util.hh>
#include <protocols/electron_density/DensitySymmInfo.hh>
#include <protocols/electron_density/SetupForDensityScoringMover.hh>
#include <core/scoring/electron_density/ElectronDensity.hh>
#include <core/scoring/electron_density/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/symmetry.OptionKeys.gen.hh>
#include <basic/options/keys/edensity.OptionKeys.gen.hh>
#include <ObjexxFCL/format.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzVector.io.hh>
#include <numeric/random/random.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <utility/string_util.hh>
#include <basic/Tracer.hh>
#include <cmath>
#include <limits>
#include <utility/file/FileName.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/excn/Exceptions.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/ResidueFactory.hh>

Functions
void	dump_coords (utility::vector1< numeric::xyzVector< core::Real > > all_xyz, std::string pdb_name)
bool	nearlyEqual (float a, float b, float epsilon)
core::Real	get_localreso (core::conformation::Residue const &rsd, core::scoring::electron_density::ElectronDensity &locres)
core::Real	get_localbfacs (core::pose::Pose &pose, core::Vector x, core::Real const MAX_DIST)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("reggiano.val_metrics.density_zscores")

Function Documentation

dump_coords()

void dump_coords	(	utility::vector1< numeric::xyzVector< core::Real > >	all_xyz,
		std::string	pdb_name
	)

References create_a3b_hbs::i.

get_localbfacs()

core::Real get_localbfacs	(	core::pose::Pose &	pose,
		core::Vector	x,
		core::Real const	MAX_DIST
	)

References count, oop_conformations::length, beta_nonlocal::pose, and x.

Referenced by main().

get_localreso()

core::Real get_localreso	(	core::conformation::Residue const &	rsd,
		core::scoring::electron_density::ElectronDensity &	locres
	)

References a, atoms, create_a3b_hbs::i, max(), min(), and nearlyEqual().

main()

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

References argv, score_vs_rmsd::density, test.T009_Exceptions::e, PREcst::fname, get_localbfacs(), pyrosetta.distributed.io::get_score_function(), basic::options::OptionKeys::edensity::grid_spacing, basic::init(), basic::options::OptionKeys::edensity::mapfile, basic::options::OptionKeys::edensity::mapreso, NEW_OPT, create_a3b_hbs::nres, basic::options::option, kmeans_adaptive_kernel_density_bb_dependent_rotlib::p, pyrosetta.distributed.io::pose_from_file(), pna::resi, basic::options::OptionKeys::in::file::s, oop_conformations::scorefxn, basic::options::TR, and x.

nearlyEqual()

bool nearlyEqual	(	float	a,
		float	b,
		float	epsilon
	)

References a, ObjexxFCL::abs(), compute_difference::b, erraser_analysis::diff, max(), and min().

Referenced by get_localreso().

Variable Documentation

TR

basic::Tracer TR("reggiano.val_metrics.density_zscores") ( "reggiano.val_metrics.density_zscores"  )

static