spheregrinder.cc File Reference

#include <basic/options/option.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/constraints.OptionKeys.gen.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/pose/util.hh>
#include <core/pose/PDBInfo.hh>
#include <core/io/silent/SilentStruct.hh>
#include <core/io/silent/SilentFileOptions.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyMap.hh>
#include <protocols/constraint_movers/ConstraintSetMover.hh>
#include <core/scoring/constraints/util.hh>
#include <core/id/AtomID.hh>
#include <core/scoring/rms_util.hh>
#include <numeric/model_quality/rms.hh>
#include <ObjexxFCL/format.hh>
#include <utility/excn/Exceptions.hh>
#include <core/types.hh>
#include <devel/init.hh>
#include <basic/Tracer.hh>

Functions
utility::vector1< Vector >	get_sphere_xyz (pose::Pose const &pose, utility::vector1< id::AtomID > const &sphere_atomid)
Real	SphereGrinder (pose::Pose const &pose_ref, pose::Pose const &pose, Real dcut2, std::string const &mode)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("app.public.comparative_modeling.spheregrinder")

Function Documentation

utility::vector1< Vector > get_sphere_xyz	(	pose::Pose const &	pose,
		utility::vector1< id::AtomID > const &	sphere_atomid
	)

References utility::vectorL< SSize, T, A >::contains(), utility::vector1< T, A >::index(), and basic::options::OptionKeys::in::file::xyz.

Referenced by SphereGrinder().

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

References utility::io::oc::cout, pyrosetta::create_score_function, basic::options::OptionKeys::templates::cst::cst, basic::options::OptionKeys::constraints::cst_fa_file, basic::Tracer::Debug, test.T009_Exceptions::e, test.T200_Scoring::emap, devel::init(), utility::excn::Exception::msg(), in::file::native(), option, demo.D010_Pose_structure::pose, pyrosetta.distributed.io::pose_from_file, erraser_single_res_analysis::score, test.T220_AtomAtomPairEnergies::sfxn, in::file::silent(), SphereGrinder(), tag, TR, basic::options::OptionKeys::inout::dbms::user, and score::weights().

Real SphereGrinder	(	pose::Pose const &	pose_ref,
		pose::Pose const &	pose,
		Real	dcut2,
		std::string const &	mode
	)

References numeric::model_quality::calc_rms(), utility::contains(), basic::Tracer::Debug, get_sphere_xyz(), amino_acids::size, TR, and basic::options::OptionKeys::in::file::xyz.

Referenced by main().

Variable Documentation

basic::Tracer TR("app.public.comparative_modeling.spheregrinder")

static

Referenced by main(), and SphereGrinder().