select_best_unique_ligand_poses.cc File Reference

#include <devel/init.hh>
#include <protocols/ligand_docking/LigandBaseProtocol.hh>
#include <protocols/jd2/JobDistributorFactory.hh>
#include <protocols/jd2/AtomTreeDiffJobOutputter.hh>
#include <protocols/jd2/Job.hh>
#include <protocols/jd2/JobsContainer.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/atom_tree_diffs/atom_tree_diff.hh>
#include <core/scoring/rms_util.hh>
#include <core/pose/util.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/Energies.hh>
#include <utility/vector1.hh>
#include <utility/exit.hh>
#include <basic/Tracer.hh>
#include <utility/io/ozstream.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <map>
#include <utility/excn/Exceptions.hh>

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

Variables
static basic::Tracer	TR ("apps.public.ligand_dock.select_best_unique_ligand_poses")

Function Documentation

void go_main

(

)

References utility::io::ozstream::close(), test.T200_Scoring::emap, assign_charges::first, test.T150_PyMOL_Integration::i, basic::options::OptionKeys::frags::j, basic::options::OptionKeys::jd2::jd2, basic::options::OptionKeys::docking::ligand::max_poses, min(), basic::options::OptionKeys::docking::ligand::min_rms, basic::options::option, erraser_single_res_analysis::out, basic::options::OptionKeys::hotspot::residue, loops_kic::rms, runtime_assert, basic::options::OptionKeys::docking::ligand::subset_to_keep, tag, basic::options::TR, and value.

Referenced by main().

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

References basic::options::OptionKeys::out::file::atom_tree_diff, basic::options::OptionKeys::in::file::atom_tree_diff, begin, utility::excn::Exception::display(), test.T009_Exceptions::e, go_main(), devel::init(), basic::options::OptionKeys::in::file::keep_input_scores, basic::options::OptionKeys::out::no_nstruct_label, basic::options::OptionKeys::out::nstruct, basic::options::option, basic::options::OptionKeys::out::file::silent, basic::options::OptionKeys::in::file::silent, basic::options::OptionKeys::out::file::silent_struct_type, basic::options::OptionKeys::in::file::silent_struct_type, basic::options::TR, basic::options::OptionKeys::inout::dbms::user, and basic::Tracer::Warning.

Variable Documentation

basic::Tracer TR("apps.public.ligand_dock.select_best_unique_ligand_poses")

static