cluster_ligand_poses.cc File Reference

Choose several ligand poses for further docking refinement. More...

#include <protocols/jobdist/JobDistributors.hh>
#include <utility/exit.hh>
#include <utility/file/FileName.hh>
#include <utility/io/ozstream.hh>
#include <utility/pointer/owning_ptr.hh>
#include <devel/init.hh>
#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <basic/options/option.hh>
#include <core/scoring/rms_util.hh>
#include <basic/Tracer.hh>
#include <protocols/cluster/APCluster.hh>
#include <protocols/jobdist/Jobs.hh>
#include <fstream>
#include <set>
#include <sstream>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <core/import_pose/atom_tree_diffs/atom_tree_diff.hh>
#include <core/io/pdb/build_pose_as_is.hh>
#include <core/pose/Pose.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <utility/excn/Exceptions.hh>

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

Detailed Description

Choose several ligand poses for further docking refinement.

Author

Ian Davis (ian.w.nosp@m..dav.nosp@m.is@gm.nosp@m.ail..nosp@m.com)

Function Documentation

main()

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

References a, argv, basic::options::OptionKeys::cluster::cluster, utility::io::oc::cout, test.T009_Exceptions::e, create_a3b_hbs::i, create_a3b_hbs::ii, basic::init(), create_a3b_hbs::j, beta_nonlocal::jj, basic::options::OptionKeys::docking::ligand::max_poses, basic::options::OptionKeys::lh::max_rms, basic::options::OptionKeys::in::file::native, docking::native_pose, basic::options::option, erraser_single_res_analysis::out, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::in::file::silent, tag, basic::options::TR, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.