r_local_rdc.cc File Reference

#include <core/fragment/FrameIterator.hh>
#include <core/fragment/FragID_Iterator.hh>
#include <core/fragment/FragID.hh>
#include <core/fragment/FragmentIO.hh>
#include <core/fragment/FragSet.hh>
#include <core/fragment/util.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/scoring/rms_util.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pose/Pose.hh>
#include <devel/init.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/chemical/ChemicalManager.hh>
#include <numeric/angle.functions.hh>
#include <numeric/conversions.hh>
#include <basic/options/option.hh>
#include <core/scoring/ResidualDipolarCoupling.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <basic/options/option_macros.hh>
#include <utility/io/izstream.hh>
#include <utility/io/ozstream.hh>
#include <protocols/toolbox/Cluster.hh>
#include <basic/Tracer.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/options/keys/cluster.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/pose/util.hh>
#include <core/util/SwitchResidueTypeSet.hh>

Classes
class	ThisApplication

Typedefs
typedef utility::vector1< FragID_List >	FragID_ClusterList

Functions
void	recover_clustered_frags (FragSetOP predicted_frags, FragID_ClusterList &clustered_frags)
ResidualDipolarCouplingOP	filter_rdcs_for_frame (Frame const &frame, ResidualDipolarCoupling const &orig_rdcs)
Real	compare_cartesian_rmsd (Pose const &orig_frag, Pose const &pred_frag, Frame const &frame)
void	score_clustered_frags (FragSetOP frags, Pose &test_pose, Pose &native_pose)
int	main (int argc, char **argv)

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

Typedef Documentation

FragID_ClusterList

typedef utility::vector1< FragID_List > FragID_ClusterList

Function Documentation

compare_cartesian_rmsd()

Real compare_cartesian_rmsd	(	Pose const &	orig_frag,
		Pose const &	pred_frag,
		Frame const &	frame
	)

References numeric::kinematic_closure::frame(), create_a3b_hbs::nres, and utility_exit_with_message.

Referenced by main(), and score_clustered_frags().

filter_rdcs_for_frame()

ResidualDipolarCouplingOP filter_rdcs_for_frame	(	Frame const &	frame,
		ResidualDipolarCoupling const &	orig_rdcs
	)

References numeric::kinematic_closure::frame().

Referenced by main(), and score_clustered_frags().

main()

int main	(	int	argc,
		char **	argv
	)

References argv, compare_cartesian_rmsd(), test.T009_Exceptions::e, ObjexxFCL::format::F(), filter_rdcs_for_frame(), basic::options::OptionKeys::in::file::fold_tree, basic::options::OptionKeys::frags::frags, numeric::kinematic_closure::frame(), create_a3b_hbs::i, basic::options::OptionKeys::in::in, basic::init(), ObjexxFCL::len(), in::file::native(), surface_app::native, option, erraser_single_res_analysis::out, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::evaluation::rdc, ThisApplication::register_options(), ObjexxFCL::format::RJ(), average_rmsds::rmsd, create_a3b_hbs::score, score_clustered_frags(), oop_conformations::scorefxn, ObjexxFCL::string_of(), create_a3b_hbs::test_pose, tr, basic::Tracer::Trace, basic::options::OptionKeys::inout::dbms::user, and basic::Tracer::TracerProxy::visible().

recover_clustered_frags()

void recover_clustered_frags	(	FragSetOP	predicted_frags,
		FragID_ClusterList &	clustered_frags
	)

References basic::options::OptionKeys::cluster::cluster, basic::Tracer::Debug, numeric::kinematic_closure::frame(), getline(), utility::io::izstream::good(), basic::options::OptionKeys::in::in, line, utility::io::izstream::open(), option, make_symmdef_file_denovo::pos, str(), tr, utility_exit_with_message, and basic::Tracer::Warning.

Referenced by score_clustered_frags().

score_clustered_frags()

void score_clustered_frags	(	FragSetOP	frags,
		Pose &	test_pose,
		Pose &	native_pose
	)

References compare_cartesian_rmsd(), ObjexxFCL::format::F(), filter_rdcs_for_frame(), numeric::kinematic_closure::frame(), ObjexxFCL::len(), BundlePairRmsdCalculator::max_rmsd, docking::native_pose, option, erraser_single_res_analysis::out, make_symmdef_file_denovo::pos, basic::options::OptionKeys::evaluation::rdc, recover_clustered_frags(), ObjexxFCL::format::RJ(), average_rmsds::rmsd, create_a3b_hbs::score, oop_conformations::scorefxn, and create_a3b_hbs::test_pose.

Referenced by main().

Variable Documentation

tr

basic::Tracer tr("main") ( "main"  )

static

Referenced by main(), and recover_clustered_frags().