packstat.cc File Reference

#include <core/scoring/packstat/types.hh>
#include <core/scoring/packstat/SimplePDB_Atom.hh>
#include <core/scoring/packstat/SimplePDB.hh>
#include <core/scoring/packstat/AtomRadiusMap.hh>
#include <core/scoring/packstat/compute_sasa.hh>
#include <protocols/analysis/PackStatMover.hh>
#include <devel/init.hh>
#include <core/types.hh>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <iostream>
#include <string>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/packstat.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <ObjexxFCL/format.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <utility/excn/Exceptions.hh>

Functions
std::string	base_name (const std::string &str)
std::string	get_out_tag (std::string const &fname)
void	output_packstat_pdb (std::string fname, utility::vector1< core::Real > const &res_scores)
void	output_packstat (std::string fname)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TRps ("packstat")

Function Documentation

base_name()

std::string base_name ( const std::string &  str )

inline

References begin, end, create_a3b_hbs::i, and str().

Referenced by get_out_tag().

get_out_tag()

std::string get_out_tag

(

std::string const &

fname

)

References test.T005_Bindings::base, base_name(), basic::Tracer::Error, PREcst::fname, basic::options::OptionKeys::mp::transform::transform, and TRps.

Referenced by output_packstat_pdb().

main()

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

References argv, test.T009_Exceptions::e, PREcst::fname, create_a3b_hbs::i, basic::init(), in::file::l(), basic::options::OptionKeys::in::file::list, out::nooutput(), option, out::output(), output_packstat(), test.Workshop6test::pack_mover, basic::options::OptionKeys::packstat::packstat, in::file::s(), in::file::silent(), and basic::options::OptionKeys::inout::dbms::user.

output_packstat()

void output_packstat

(

std::string

fname

)

References compute_sasa(), hist2d::dat, debug_assert, PREcst::fname, create_a3b_hbs::i, basic::options::OptionKeys::in::in, basic::options::OptionKeys::packstat::include_water, enumerate_junctions::int, create_a3b_hbs::j, option, output_packstat_pdb(), basic::options::OptionKeys::packstat::oversample, packing_score(), basic::options::OptionKeys::packstat::packstat, basic::options::OptionKeys::packstat::packstat_pdb, kic_runner::pdb, spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::pr, basic::options::OptionKeys::packstat::raw_stats, basic::options::OptionKeys::holes::residue_scores, and TRps.

Referenced by main().

output_packstat_pdb()

void output_packstat_pdb	(	std::string	fname,
		utility::vector1< core::Real > const &	res_scores
	)

References val2thr::atom, basic::options::OptionKeys::packstat::cavity_burial_probe_radius, utility::io::oc::cerr, utility::io::ozstream::close(), basic::options::OptionKeys::packstat::cluster_min_volume, compute_sasa(), count, utility::io::oc::cout, basic::Tracer::Error, ObjexxFCL::format::F(), PREcst::fname, get_out_tag(), create_a3b_hbs::i, basic::options::OptionKeys::in::in, enumerate_junctions::int, create_a3b_hbs::j, basic::options::OptionKeys::packstat::min_cav_ball_radius, basic::options::OptionKeys::packstat::min_cluster_overlap, basic::options::OptionKeys::packstat::min_surface_accessibility, option, erraser_single_res_analysis::out, basic::options::OptionKeys::packstat::packstat, kic_runner::pdb, spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::pr, predPRE::resnum, basic::options::OptionKeys::packstat::surface_accessibility, and TRps.

Referenced by output_packstat().

Variable Documentation

TRps

basic::Tracer TRps("packstat") ( "packstat"  )

static

Referenced by get_out_tag(), output_packstat(), and output_packstat_pdb().