vsasa_pdbcode_res.cc File Reference

#include <algorithm>
#include <cctype>
#include <limits>
#include <boost/unordered/unordered_map.hpp>
#include <devel/init.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/moves/Mover.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/id/AtomID.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/AtomType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <utility/file/FileName.hh>
#include <utility/vector1.hh>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/hbonds/HBondDatabase.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/id/AtomID_Map.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <devel/vardist_solaccess/VarSolDRotamerDots.hh>
#include <core/types.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <utility/options/keys/RealOptionKey.hh>
#include <utility/options/keys/FileVectorOptionKey.hh>
#include <utility/io/ozstream.hh>
#include <utility/io/izstream.hh>
#include <core/pose/util.hh>

Classes
class	hbond_strat
class	hbond_energy_strat
class	hbond_geom_strat

Functions
void	read_FileVector (const basic::options::FileVectorOptionKey &fv_key, std::vector< std::string > &str_vec)
void	vsasa_bunsats (pose::Pose &pose, const Real AHdist_threshold, const hbond_strat &hb_eval, VarSolDistSasaCalculator &vsasa_calc, const Real burial_cutoff)
void	buns_stats (const std::vector< std::string > &pdb_list, const Real AHdist_geom_eval_threshold, const hbond_strat &hb_eval, VarSolDistSasaCalculator &vsasa_calc, const Real burial_cutoff)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("buns_stats")
basic::options::RealOptionKey const	AHdist_opkey ("AHdist")
basic::options::RealOptionKey const	AHD_opkey ("AHD")

Function Documentation

buns_stats()

void buns_stats	(	const std::vector< std::string > &	pdb_list,
		const Real	AHdist_geom_eval_threshold,
		const hbond_strat &	hb_eval,
		VarSolDistSasaCalculator &	vsasa_calc,
		const Real	burial_cutoff
	)

References create_a3b_hbs::i, bur_nodon_tyr::pdb_list, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, subloop_histogram::size, and vsasa_bunsats().

Referenced by main().

main()

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

References utility::options::OptionCollection::add(), AHD_opkey, AHdist_opkey, argv, buns_stats(), utility::options::ScalarOption_T_< K, T >::def(), test.T009_Exceptions::e, basic::init(), basic::options::OptionKeys::in::file::l, basic::options::option, bur_nodon_tyr::pdb_list, and read_FileVector().

read_FileVector()

void read_FileVector	(	const basic::options::FileVectorOptionKey &	fv_key,
		std::vector< std::string > &	str_vec
	)

References getline(), line, basic::options::OptionKeys::in::file::list, basic::options::option, and basic::options::OptionKeys::inout::dbms::user.

Referenced by main().

vsasa_bunsats()

void vsasa_bunsats	(	pose::Pose &	pose,
		const Real	AHdist_threshold,
		const hbond_strat &	hb_eval,
		VarSolDistSasaCalculator &	vsasa_calc,
		const Real	burial_cutoff
	)

References utility::io::oc::cout, end, hbond_strat::evaluate(), find_neighbors(), h, test.T200_Scoring::hbond_set, benchmark_ns::hbonded, beta_sc_scan::name3, basic::options::OptionKeys::legacy_sewing::neighbor_cutoff, create_a3b_hbs::nres, create_a3b_hbs::pdb_info, beta_nonlocal::pose, res, and oop_conformations::scorefxn.

Referenced by buns_stats().

Variable Documentation

AHD_opkey

basic::options::RealOptionKey const AHD_opkey("AHD")

(

"AHD"

)

Referenced by main().

AHdist_opkey

basic::options::RealOptionKey const AHdist_opkey("AHdist")

(

"AHdist"

)

Referenced by main().

TR

basic::Tracer TR("buns_stats") ( "buns_stats"  )

static