#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/id/AtomID_Map.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <basic/options/keys/holes.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/packing/PoseBalls.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/rms_util.hh>
#include <protocols/jobdist/not_universal_main.hh>
#include <protocols/moves/Mover.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <basic/datacache/CacheableString.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/types.hh>
#include <numeric/model_quality/rms.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <pstream.h>
#include <utility/io/ozstream.hh>
#include <core/chemical/AtomType.hh>
#include <core/pose/util.hh>
#include <core/import_pose/import_pose.hh>
#include <numeric/model_quality/RmsData.hh>

Classes
class	HolesTrainingDataMover

Functions
core::id::AtomID_Map< core::Real >	local_rms (core::pose::Pose p1, core::pose::Pose p2, core::Real dist, bool localalign)

core::Real	local_rms_window (core::pose::Pose p1, core::pose::Pose p2, core::Size seq_st, core::Size seq_stop, bool localalign)

utility::vector1< core::Size >	parse_ss_regions (core::pose::Pose &pose, utility::vector1< core::Size > &reg_begin_out, utility::vector1< core::Size > &reg_end_out)

utility::vector1< core::Real >	fill_hbond_e (core::pose::Pose &pose, core::scoring::packing::PoseBalls pb)

std::string	tag_from_pose (core::pose::Pose &pose)

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

Variables
std::map< std::string, utility::io::ozstream * >	outs

Function Documentation

◆ fill_hbond_e()

utility::vector1<core::Real> fill_hbond_e	(	core::pose::Pose &	pose,
		core::scoring::packing::PoseBalls	pb
	)

References basic::options::OptionKeys::mp::scoring::hbond, create_a3b_hbs::i, and beta_nonlocal::pose.

Referenced by HolesTrainingDataMover::apply().

◆ local_rms()

core::id::AtomID_Map<core::Real> local_rms	(	core::pose::Pose	p1,
		core::pose::Pose	p2,
		core::Real	dist,
		bool	localalign
	)

References dist(), create_a3b_hbs::i, create_a3b_hbs::j, natoms(), p2, numeric::model_quality::rms_wrapper(), numeric::xyzVector< T >::x(), basic::options::OptionKeys::in::file::xyz, numeric::xyzVector< T >::y(), and numeric::xyzVector< T >::z().

Referenced by HolesTrainingDataMover::apply().

◆ local_rms_window()

core::Real local_rms_window	(	core::pose::Pose	p1,
		core::pose::Pose	p2,
		core::Size	seq_st,
		core::Size	seq_stop,
		bool	localalign
	)

References create_a3b_hbs::i, create_a3b_hbs::j, natoms(), p2, numeric::model_quality::rms_wrapper(), numeric::xyzVector< T >::x(), numeric::xyzVector< T >::y(), and numeric::xyzVector< T >::z().

Referenced by HolesTrainingDataMover::apply().

◆ main()

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

References argv, test.T009_Exceptions::e, basic::options::OptionKeys::holes::holes, create_a3b_hbs::i, basic::init(), subloop_histogram::iterator, and outs.

◆ parse_ss_regions()

utility::vector1<core::Size> parse_ss_regions	(	core::pose::Pose &	pose,
		utility::vector1< core::Size > &	reg_begin_out,
		utility::vector1< core::Size > &	reg_end_out
	)