get_pharmacophore_without_bound_rna.cc File Reference

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <basic/MetricValue.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/pose/metrics/simple_calculators/SasaCalculatorLegacy.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/rna/RNA_Info.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <utility/io/ozstream.hh>
#include <iostream>
#include <iomanip>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <core/kinematics/Stub.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/conformation/Conformation.hh>
#include <numeric/xyz.functions.hh>

Functions
bool	is_buried_ring (core::conformation::Residue const &rsd, core::Real ring_sasa, core::Real sasa_cutoff)
numeric::xyzVector< core::Real >	rotatePoint (core::Real x, core::Real y, core::Real z)
core::Real	get_RNAring_sasa (core::conformation::Residue const &rsd, int rsdno, core::id::AtomID_Map< core::Real > &pose_atom_sasa)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.pilot.ragul.rna_phr.get_pharmacophore_without_bound_rna")

Function Documentation

get_RNAring_sasa()

core::Real get_RNAring_sasa	(	core::conformation::Residue const &	rsd,
		int	rsdno,
		core::id::AtomID_Map< core::Real > &	pose_atom_sasa
	)

References utility::io::oc::cout, and utility::options::OptionKeys::options::exit.

is_buried_ring()

bool is_buried_ring	(	core::conformation::Residue const &	rsd,
		core::Real	ring_sasa,
		core::Real	sasa_cutoff
	)

References sasa_cutoff.

main()

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

References aa, argv, utility::io::oc::cerr, basic::options::OptionKeys::chemical::chemical, utility::io::ozstream::close(), utility::io::oc::cout, enumerate_junctions::default, numeric::xyzVector< T >::distance(), test.T009_Exceptions::e, utility::options::OptionKeys::options::exit, basic::options::OptionKeys::optE::fixed, create_a3b_hbs::i, basic::init(), create_a3b_hbs::j, NEW_OPT, utility::io::ozstream::open(), option, erraser_single_res_analysis::out, pyrosetta.distributed.io::pose_from_file(), numeric::conversions::radians(), predPRE::resnum, rotatePoint(), test_mm_lj::step, stub(), basic::MetricValue< T >::value(), numeric::xyzVector< T >::x(), numeric::xyzVector< T >::y(), and numeric::xyzVector< T >::z().

rotatePoint()

numeric::xyzVector<core::Real> rotatePoint	(	core::Real	x,
		core::Real	y,
		core::Real	z
	)

References x, numeric::x_rotation_matrix_degrees(), predPRE::y, and predPRE::z.

Referenced by main().

Variable Documentation

TR

basic::Tracer TR("apps.pilot.ragul.rna_phr.get_pharmacophore_without_bound_rna") ( "apps.pilot.ragul.rna_phr.get_pharmacophore_without_bound_rna"  )

static