ragul_darc_optimize_weights.cc File Reference

#include <iostream>
#include <iomanip>
#include <fstream>
#include <ostream>
#include <string>
#include <sstream>
#include <cmath>
#include <map>
#include <devel/init.hh>
#include <protocols/pockets/Fingerprint.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <core/optimization/ParticleSwarmMinimizer.hh>
#include <basic/options/option_macros.hh>
#include <protocols/pockets/FingerprintMultifunc.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/relax.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <basic/options/after_opts.hh>
#include <protocols/moves/ScoreMover.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <protocols/pose_metric_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/chemical/ResidueTypeSet.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/Residue.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pose/Pose.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pose/PDBInfo.hh>
#include <basic/Tracer.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <core/conformation/Conformation.hh>
#include <numeric/conversions.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <core/import_pose/import_pose.hh>
#include <protocols/moves/SuperimposeMover.hh>
#include <core/kinematics/MoveMap.hh>
#include <protocols/moves/RigidBodyMover.hh>
#include <core/scoring/constraints/CoordinateConstraint.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/rms_util.hh>
#include <core/scoring/rms_util.tmpl.hh>
#include <core/scoring/constraints/util.hh>
#include <core/scoring/ScoreFunctionFactory.hh>

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

Function Documentation

main()

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

References oop_conformations::angles, job_manager::app, argv, create_a3b_hbs::best_pose, basic::options::OptionKeys::pocket_grid::central_relax_pdb_num, predPRE::chain, utility::io::oc::cout, test.T009_Exceptions::e, utility::options::OptionKeys::options::exit, fprintf(), pyrosetta.distributed.io::get_score_function(), getline(), create_a3b_hbs::i, create_a3b_hbs::ii, basic::init(), ObjexxFCL::int_of(), create_a3b_hbs::j, lig_res_num, NEW_OPT, create_a3b_hbs::nres, option, kmeans_adaptive_kernel_density_bb_dependent_rotlib::p, numeric::constants::r::pi_2, pyrosetta.distributed.io::pose_from_file(), erraser_util::remove(), predPRE::resnum, oop_conformations::scorefxn, tag, basic::options::OptionKeys::in::file::template_pdb, numeric::random::uniform(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::v, x, numeric::xyzVector< T >::x(), numeric::x_rotation_matrix_radians(), predPRE::y, numeric::xyzVector< T >::y(), numeric::y_rotation_matrix_radians(), predPRE::z, numeric::xyzVector< T >::z(), and numeric::z_rotation_matrix_radians().