ragul_test_darc.cc File Reference

#include <devel/init.hh>
#include <basic/options/option_macros.hh>
#include <core/pose/PDBInfo.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <protocols/pockets/Fingerprint.hh>
#include <protocols/pockets/FingerprintMultifunc.hh>
#include <protocols/pockets/MultiFingerprintMultifunc.hh>
#include <core/optimization/ParticleSwarmMinimizer.hh>
#include <core/import_pose/import_pose.hh>
#include <protocols/simple_moves/ScoreMover.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/optimization/MinimizerOptions.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/kinematics/MoveMap.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/pose/util.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/MetricValue.hh>
#include <utility/file/file_sys_util.hh>
#include <protocols/simple_moves/SuperimposeMover.hh>
#include <core/kinematics/FoldTree.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/fingerprint.OptionKeys.gen.hh>
#include <utility/numbers.hh>

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

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

Function Documentation

main()

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

References basic::options::OptionKeys::fingerprint::add_esp, job_manager::app, argv, chains, utility::io::oc::cout, basic::options::OptionKeys::constraints::cst_weight, basic::options::OptionKeys::fingerprint::darc_elsts_only, basic::options::OptionKeys::fingerprint::darc_shape_only, basic::options::OptionKeys::fingerprint::delphi_grid, test.T009_Exceptions::e, basic::options::OptionKeys::score::empty, utility::options::OptionKeys::options::exit, create_a3b_hbs::f, utility::file::file_exists(), file_exists(), basic::options::OptionKeys::in::file::fold_tree, getline(), create_a3b_hbs::i, create_a3b_hbs::ii, basic::init(), utility::isnan(), subloop_histogram::iterator, create_a3b_hbs::j, lig_res_num, basic::options::OptionKeys::docking::ligand::ligand, max(), NEW_OPT, create_a3b_hbs::nres, option, drrafter_rna::output_tag, kmeans_adaptive_kernel_density_bb_dependent_rotlib::p, numeric::constants::r::pi_2, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::stepwise::protein::protein, predPRE::resnum, oop_conformations::scorefxn, tag, TR, pna::trans_mover, basic::options::OptionKeys::inout::dbms::user, utility_exit_with_message, basic::MetricValue< T >::value(), value, numeric::xyzVector< T >::x(), numeric::xyzVector< T >::y(), and numeric::xyzVector< T >::z().

Variable Documentation

TR

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

static

Referenced by main().