protocols::dna::RotamerDNAHBondFilter Class Reference

#include <RotamerDNAHBondFilter.hh>

Public Member Functions
	RotamerDNAHBondFilter (core::Real threshold=-0.5, bool base_only=true)
virtual	~RotamerDNAHBondFilter ()
virtual bool	operator() (core::conformation::ResidueOP rotamer, core::pose::Pose const &pose, core::scoring::ScoreFunction const &scorefxn, core::pack::task::ResidueLevelTask const &rtask, core::graph::GraphCOP packer_neighbor_graph, core::pack::dunbrack::ChiSetOP chi_set)
void	report () const
Public Member Functions inherited from core::pack::rotamer_set::RotamerOperation
	RotamerOperation ()
virtual	~RotamerOperation ()

Private Attributes
core::Real	threshold_
bool	base_only_
core::Size	nfiltered_
core::Size	naccepted_
core::scoring::hbonds::HBondDatabaseCOP	hb_database_
core::scoring::hbonds::HBondOptionsOP	hbondoptions_

Constructor & Destructor Documentation

protocols::dna::RotamerDNAHBondFilter::RotamerDNAHBondFilter	(	core::Real	threshold = -0.5,
		bool	base_only = true
	)

References scoring.

protocols::dna::RotamerDNAHBondFilter::~RotamerDNAHBondFilter ( )

virtual

Member Function Documentation

bool protocols::dna::RotamerDNAHBondFilter::operator() ( core::conformation::ResidueOP  rotamer, core::pose::Pose const &  pose, core::scoring::ScoreFunction const &  scorefxn, core::pack::task::ResidueLevelTask const &  rtask, core::graph::GraphCOP  packer_neighbor_graph, core::pack::dunbrack::ChiSetOP  chi_set  )

virtual

Implements core::pack::rotamer_set::RotamerOperation.

References base_only_, protocols::dna::close_to_dna(), create_acc_orientation_vector(), create_don_orientation_vector(), DUMMY_DERIVS, filter, hb_database_, hb_energy_deriv_u(), hbond_sc, hbondoptions_, naccepted_, nfiltered_, core::pack::task::ResidueLevelTask::operate_on_ex1(), core::pack::task::ResidueLevelTask::operate_on_ex2(), core::pack::task::ResidueLevelTask::operate_on_ex3(), core::pack::task::ResidueLevelTask::operate_on_ex4(), core::pose::Pose::residue(), scoring, threshold_, and core::pose::Pose::total_residue().

void protocols::dna::RotamerDNAHBondFilter::report

(

)

const

References naccepted_, nfiltered_, and protocols::dna::TR.

Member Data Documentation

bool protocols::dna::RotamerDNAHBondFilter::base_only_

private

Referenced by operator()().

core::scoring::hbonds::HBondDatabaseCOP protocols::dna::RotamerDNAHBondFilter::hb_database_

private

Referenced by operator()().

core::scoring::hbonds::HBondOptionsOP protocols::dna::RotamerDNAHBondFilter::hbondoptions_

private

Referenced by operator()().

core::Size protocols::dna::RotamerDNAHBondFilter::naccepted_

private

Referenced by operator()(), and report().

core::Size protocols::dna::RotamerDNAHBondFilter::nfiltered_

private

Referenced by operator()(), and report().

core::Real protocols::dna::RotamerDNAHBondFilter::threshold_

private

Referenced by operator()().

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

• src/protocols/dna/RotamerDNAHBondFilter.hh
• src/protocols/dna/RotamerDNAHBondFilter.cc