get_rna_pharmacophore_with_water.cc File Reference

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/pose_metrics.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/rna/RNA_Info.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <iostream>
#include <iomanip>
#include <fstream>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/init_id_map.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/sasa.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/scoring/hbonds/HBondDatabase.fwd.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <basic/Tracer.hh>

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

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.

Referenced by main().

main()

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

References job_manager::app, argv, utility::io::ozstream::clear(), utility::io::ozstream::close(), utility::graph::Node::const_edge_list_end(), test.T009_Exceptions::e, basic::options::OptionKeys::optE::fixed, utility::graph::Edge::get_node(), pyrosetta.distributed.io::get_score_function(), create_a3b_hbs::i, basic::init(), is_buried_ring(), NEW_OPT, utility::io::ozstream::open(), basic::options::option, option, erraser_single_res_analysis::out, pyrosetta.distributed.io::pose_from_file(), bur_nodon_tyr::probe_radius, basic::options::OptionKeys::pose_metrics::sasa_calculator_probe_radius, sasa_cutoff, and oop_conformations::scorefxn.

Variable Documentation

TR

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

static