gen_cav_ball.cc File Reference

#include <iostream>
#include <map>
#include <string>
#include <sstream>
#include <devel/init.hh>
#include <core/types.hh>
#include <core/io/pdb/build_pose_as_is.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pose/Pose.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/AtomVDW.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <core/scoring/packstat/compute_sasa.hh>
#include <protocols/jobdist/Jobs.hh>
#include <protocols/jobdist/standard_mains.hh>
#include <utility/string_util.hh>
#include <utility/file/FileName.hh>
#include <utility/file/file_sys_util.hh>
#include <basic/options/keys/packstat.OptionKeys.gen.hh>
#include <ObjexxFCL/format.hh>
#include <utility/exit.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <numeric/xyz.functions.hh>
#include <utility/graph/Graph.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/scoring/etable/Etable.hh>
#include <core/import_pose/import_pose.hh>

Macros
#define	MAXCAVN   9
#define	MAXRESD   10.0
#define	T_FACTOR   2.0
#define	THRESHOLD   10.0

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

Variables
static basic::Tracer	TR ("apps.pilot.wendao.gen_cav_ball")

Macro Definition Documentation

MAXCAVN

#define MAXCAVN   9

MAXRESD

#define MAXRESD   10.0

T_FACTOR

#define T_FACTOR   2.0

THRESHOLD

#define THRESHOLD   10.0

Function Documentation

main()

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

References argv, basic::options::OptionKeys::packstat::cavity_burial_probe_radius, basic::options::OptionKeys::packstat::cluster_min_volume, compute_sasa(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::dis, test.T009_Exceptions::e, create_a3b_hbs::i, basic::init(), create_a3b_hbs::j, create_a3b_hbs::k, extract_by_sidechain_sasa_score::l, numeric::log(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::m, basic::options::OptionKeys::packstat::min_cav_ball_radius, basic::options::OptionKeys::packstat::min_cluster_overlap, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, ObjexxFCL::pow(), spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::pr, basic::options::OptionKeys::cluster::radius, res, in::file::s(), create_a3b_hbs::score, spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::sigma, basic::options::OptionKeys::packstat::surface_accessibility, T_FACTOR, TR, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.

Variable Documentation

TR

basic::Tracer TR("apps.pilot.wendao.gen_cav_ball") ( "apps.pilot.wendao.gen_cav_ball"  )

static

Referenced by main().