ragul_get_ligand_sasa.cc File Reference

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <basic/MetricValue.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/pose/metrics/CalculatorFactory.hh>
#include <core/pose/metrics/simple_calculators/SasaCalculatorLegacy.hh>
#include <protocols/simple_pose_metric_calculators/NumberHBondsCalculator.hh>
#include <protocols/pose_metric_calculators/PackstatCalculator.hh>
#include <protocols/simple_pose_metric_calculators/BuriedUnsatisfiedPolarsCalculator.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/sasa.hh>
#include <utility/vector1.hh>
#include <iostream>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/ScoreFunctionFactory.hh>

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

Variables
static basic::Tracer	TR ("apps.pilot.ragul_ligand_sasa.main")

Function Documentation

main()

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

References ObjexxFCL::abs(), argv, utility::io::oc::cout, test.T009_Exceptions::e, utility::options::OptionKeys::options::exit, pyrosetta.distributed.io::get_score_function(), basic::init(), create_a3b_hbs::j, lig_res_num, NEW_OPT, basic::options::option, option, pyrosetta.distributed.io::pose_from_file(), bur_nodon_tyr::probe_radius, predPRE::resnum, basic::options::OptionKeys::pose_metrics::sasa_calculator_probe_radius, oop_conformations::scorefxn, and basic::MetricValue< T >::value().

Variable Documentation

TR

basic::Tracer TR("apps.pilot.ragul_ligand_sasa.main") ( "apps.pilot.ragul_ligand_sasa.main"  )

static