pilot_packstat.cc File Reference

#include <protocols/packstat/types.hh>
#include <protocols/packstat/SimplePDB_Atom.hh>
#include <protocols/packstat/SimplePDB.hh>
#include <protocols/packstat/io.hh>
#include <protocols/packstat/AtomRadiusMap.hh>
#include <protocols/packstat/compute_sasa.hh>
#include <protocols/packstat/sasa_dot_locations.hh>
#include <protocols/packstat/packing_score_params.hh>
#include <devel/init.hh>
#include <core/types.hh>
#include <core/id/AtomID_Map.hh>
#include <basic/options/option.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/pose/Pose.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/scoring/sasa.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 <numeric/xyz.functions.hh>
#include <numeric/random/random.hh>
#include <ObjexxFCL/format.hh>
#include <iostream>
#include <fstream>
#include <sstream>
#include <string>
#include <ctype.h>
#include <time.h>
#include <basic/options/keys/packstat.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <numeric/NumericTraits.hh>

Functions
std::string	base_name (const std::string &str)
std::string	get_out_tag (std::string 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 FaSolReporter::apply(), CrystFFTDock::apply(), get_out_tag(), and main().

get_out_tag()

std::string get_out_tag

(

std::string

fname

)

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

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, option, output_packstat(), basic::options::OptionKeys::packstat::packstat, PI, numeric::NumericTraits< T >::pi(), in::file::s(), and basic::options::OptionKeys::inout::dbms::user.

output_packstat()

void output_packstat

(

std::string

fname

)

References PREcst::fname, create_a3b_hbs::i, basic::options::OptionKeys::in::in, basic::options::OptionKeys::packstat::include_water, enumerate_junctions::int, 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, 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(), compute_sasa(), ObjexxFCL::format::F(), PREcst::fname, get_out_tag(), create_a3b_hbs::i, basic::options::OptionKeys::in::in, enumerate_junctions::int, option, erraser_single_res_analysis::out, basic::options::OptionKeys::packstat::packstat, kic_runner::pdb, spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::pr, basic::options::OptionKeys::cluster::radius, predPRE::resnum, basic::options::OptionKeys::packstat::surface_accessibility, and TRps.

Referenced by RosettaHolesMover::apply(), MatchSet::cross(), MatchSet::cross_homodimer(), PoseWrap::dump_pdb(), main(), output_packstat(), and run_3bpy().

Variable Documentation

TRps

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

static

Referenced by output_packstat(), and output_packstat_pdb().