protocols::rotamer_recovery::PerNativeRRReporterHuman Class Reference

#include <RRReporterHuman.hh>

Inheritance diagram for protocols::rotamer_recovery::PerNativeRRReporterHuman:

Public Member Functions
	PerNativeRRReporterHuman ()
	PerNativeRRReporterHuman (core::pose::Pose const &native_pose)
	~PerNativeRRReporterHuman () override
	PerNativeRRReporterHuman (PerNativeRRReporterHuman const &src)
void	set_native (core::pose::Pose const &native_pose)
void	report_rotamer_recovery (core::pose::Pose const &, core::conformation::Residue const &res, core::Real score, bool recovered)
bool	initialized () const
void	show (std::ostream &out, core::Size column_width=12, core::Size precision=4) const

Private Member Functions
char	torsion2big_bin (core::Real const phi, core::Real const psi, core::Real const omega)
	return one character code for region of Ramachandran plot More...

Private Attributes
bool	initialized_
core::pose::PoseCOP	native_pose_
utility::vector1< char >	nat_bb_bins_
utility::vector1< core::pack::dunbrack::RotVector >	nat_rots_
utility::vector1< core::pack::dunbrack::RotVector >	nat_chis_
utility::vector1< utility::vector1< core::Real > >	res_scores_
utility::vector1< utility::vector1< bool > >	res_recovered_

Constructor & Destructor Documentation

PerNativeRRReporterHuman() [1/3]

protocols::rotamer_recovery::PerNativeRRReporterHuman::PerNativeRRReporterHuman

(

)

PerNativeRRReporterHuman() [2/3]

protocols::rotamer_recovery::PerNativeRRReporterHuman::PerNativeRRReporterHuman

(

core::pose::Pose const &

native_pose

)

References set_native().

~PerNativeRRReporterHuman()

protocols::rotamer_recovery::PerNativeRRReporterHuman::~PerNativeRRReporterHuman ( )

overridedefault

PerNativeRRReporterHuman() [3/3]

protocols::rotamer_recovery::PerNativeRRReporterHuman::PerNativeRRReporterHuman ( PerNativeRRReporterHuman const &  src )

default

Member Function Documentation

initialized()

bool protocols::rotamer_recovery::PerNativeRRReporterHuman::initialized

(

)

const

References initialized_.

Referenced by protocols::rotamer_recovery::RRReporterHuman::report_rotamer_recovery().

report_rotamer_recovery()

void protocols::rotamer_recovery::PerNativeRRReporterHuman::report_rotamer_recovery	(	core::pose::Pose const &	,
		core::conformation::Residue const &	res,
		core::Real	score,
		bool	recovered
	)

References initialized_, res_recovered_, res_scores_, protocols::hybridization::score, and core::conformation::Residue::seqpos().

Referenced by protocols::rotamer_recovery::RRReporterHuman::report_rotamer_recovery().

set_native()

void protocols::rotamer_recovery::PerNativeRRReporterHuman::set_native

(

core::pose::Pose const &

native_pose

)

References core::pose::Pose::chi(), initialized_, core::conformation::Residue::mainchain_torsion(), nat_bb_bins_, nat_chis_, nat_rots_, native_pose_, core::conformation::Residue::nchi(), res_recovered_, res_scores_, core::pose::Pose::residue(), rot(), core::pack::dunbrack::rotamer_from_chi(), core::pose::Pose::size(), torsion2big_bin(), and protocols::rotamer_recovery::TR().

Referenced by PerNativeRRReporterHuman(), and protocols::rotamer_recovery::RRReporterHuman::report_rotamer_recovery().

show()

void protocols::rotamer_recovery::PerNativeRRReporterHuman::show	(	std::ostream &	out,
		core::Size	column_width = 12,
		core::Size	precision = 4
	)		const

References protocols::comparative_modeling::features::A, core::sequence::end, core::chemical::element::F, core::simple_metrics::metrics::mean, nat_bb_bins_, nat_rots_, native_pose_, core::conformation::membrane::out, core::io::raw_data::precision(), res_scores_, and core::pose::tag_from_pose().

torsion2big_bin()

char protocols::rotamer_recovery::PerNativeRRReporterHuman::torsion2big_bin ( core::Real const  phi, core::Real const  psi, core::Real const  omega  )

private

return one character code for region of Ramachandran plot

@detail returns 'O' <- cis-omega 'G' <- alpha-L 'E' <- E 'A' <- helical 'B' <- extended 'X' <- otherwise

References core::scoring::omega.

Referenced by set_native().

Member Data Documentation

initialized_

bool protocols::rotamer_recovery::PerNativeRRReporterHuman::initialized_

private

Referenced by initialized(), report_rotamer_recovery(), and set_native().

nat_bb_bins_

utility::vector1< char > protocols::rotamer_recovery::PerNativeRRReporterHuman::nat_bb_bins_

private

Referenced by set_native(), and show().

nat_chis_

utility::vector1< core::pack::dunbrack::RotVector > protocols::rotamer_recovery::PerNativeRRReporterHuman::nat_chis_

private

Referenced by set_native().

nat_rots_

utility::vector1< core::pack::dunbrack::RotVector > protocols::rotamer_recovery::PerNativeRRReporterHuman::nat_rots_

private

Referenced by set_native(), and show().

native_pose_

core::pose::PoseCOP protocols::rotamer_recovery::PerNativeRRReporterHuman::native_pose_

private

Referenced by set_native(), and show().

res_recovered_

utility::vector1< utility::vector1< bool > > protocols::rotamer_recovery::PerNativeRRReporterHuman::res_recovered_

private

Referenced by report_rotamer_recovery(), and set_native().

res_scores_

utility::vector1< utility::vector1< core::Real > > protocols::rotamer_recovery::PerNativeRRReporterHuman::res_scores_

private

Referenced by report_rotamer_recovery(), set_native(), and show().

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The documentation for this class was generated from the following files:

• src/protocols/rotamer_recovery/RRReporterHuman.hh
• src/protocols/rotamer_recovery/RRReporterHuman.cc