r_rmsf.cc File Reference

check quality of fragments against input structure More...

#include <protocols/moves/Mover.hh>
#include <core/pose/Pose.hh>
#include <core/io/silent/SilentFileOptions.hh>
#include <devel/init.hh>
#include <core/types.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/NoOutputJobOutputter.hh>
#include <protocols/jd2/SilentFileJobInputter.hh>
#include <protocols/toolbox/DecoySetEvaluation.hh>
#include <protocols/toolbox/InteratomicVarianceMatrix.hh>
#include <protocols/toolbox/superimpose.hh>
#include <protocols/toolbox/Cluster.hh>
#include <protocols/toolbox/Cluster.impl.hh>
#include <protocols/loops/Loop.hh>
#include <protocols/loops/Loops.hh>
#include <protocols/loops/LoopsFileIO.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/constraints/ConstraintIO.hh>
#include <core/chemical/ChemicalManager.hh>
#include <basic/options/option_macros.hh>
#include <utility/io/ozstream.hh>
#include <utility/vector1.hh>
#include <basic/Tracer.hh>
#include <utility/exit.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/cluster.OptionKeys.gen.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/format.hh>
#include <string>
#include <core/import_pose/import_pose.hh>
#include <utility/excn/Exceptions.hh>

Classes
class	RmsfMover
class	FitMover

Typedefs
using	RmsfMoverOP = utility::pointer::shared_ptr< RmsfMover >
using	RmsfMoverCOP = utility::pointer::shared_ptr< const RmsfMover >
using	FitMoverOP = utility::pointer::shared_ptr< FitMover >

Functions
void	register_options ()
void	run ()
int	main (int argc, char *argv[])
	=============================== MAIN ============================================================ More...

Variables
static basic::Tracer	tr ("main")

Detailed Description

check quality of fragments against input structure

Author

Oliver Lange

Typedef Documentation

FitMoverOP

using FitMoverOP = utility::pointer::shared_ptr<FitMover>

RmsfMoverCOP

using RmsfMoverCOP = utility::pointer::shared_ptr<const RmsfMover>

RmsfMoverOP

using RmsfMoverOP = utility::pointer::shared_ptr<RmsfMover>

Function Documentation

main()

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

=============================== MAIN ============================================================

References argv, test.T009_Exceptions::e, basic::init(), register_options(), and run().

register_options()

void register_options

(

)

References basic::options::OptionKeys::cluster::cluster, extract_by_sidechain_sasa_score::cutoff, basic::options::OptionKeys::docking::ligand::grid::grid, basic::options::OptionKeys::in::in, cluster::limit_cluster_size(), in::file::native(), NEW_OPT, OPT, erraser_single_res_analysis::out, in::file::s(), in::file::silent(), and basic::options::OptionKeys::loops::ccd::tolerance.

Referenced by main(), and register_options().

run()

void run

(

)

References basic::options::OptionKeys::cluster::cluster, extract_by_sidechain_sasa_score::cutoff, basic::options::OptionKeys::in::path::database, PREcst::fname, basic::options::OptionKeys::docking::ligand::grid::grid, create_a3b_hbs::i, basic::options::OptionKeys::in::in, basic::Tracer::Info, in::file::native(), docking::native_pose, basic::options::option, option, erraser_single_res_analysis::out, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::in::file::residue_type_set, basic::options::OptionKeys::rigid::rigid, sfd, store_energies(), basic::options::OptionKeys::loops::ccd::tolerance, tr, basic::options::OptionKeys::inout::dbms::user, utility_exit_with_message, and weights().

Referenced by main().

Variable Documentation

tr

basic::Tracer tr("main") ( "main"  )

static

Referenced by run().