protocols::dna::RotamerDNAHBondFilter Class Reference

#include <RotamerDNAHBondFilter.hh>

Inheritance diagram for protocols::dna::RotamerDNAHBondFilter:

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

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

RotamerDNAHBondFilter()

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

~RotamerDNAHBondFilter()

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

overridedefault

Member Function Documentation

operator()()

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, utility::graph::GraphCOP  packer_neighbor_graph, core::pack::dunbrack::ChiSetOP  chi_set  )

overridevirtual

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

References core::conformation::Residue::atom(), core::conformation::Residue::atom_base(), core::conformation::Residue::atom_type(), base_only_, protocols::dna::close_to_dna(), core::scoring::hbonds::create_acc_orientation_vector(), core::scoring::hbonds::create_don_orientation_vector(), core::scoring::hbonds::DUMMY_DERIVS, core::conformation::Residue::first_sidechain_atom(), core::scoring::ScoreFunction::get_weight(), hb_database_, core::scoring::hbonds::hb_energy_deriv_u(), core::scoring::hbond_sc, hbondoptions_, core::chemical::AtomType::is_acceptor(), core::conformation::Residue::is_DNA(), core::chemical::AtomType::is_donor(), core::chemical::AtomType::is_hydrogen(), core::scoring::hbonds::MAX_R2, core::scoring::hbonds::MIN_R2, naccepted_, core::conformation::Residue::natoms(), 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(), core::pose::Pose::size(), threshold_, and core::conformation::Residue::xyz().

report()

void protocols::dna::RotamerDNAHBondFilter::report

(

)

const

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

Member Data Documentation

base_only_

bool protocols::dna::RotamerDNAHBondFilter::base_only_

private

Referenced by operator()().

hb_database_

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

private

Referenced by operator()().

hbondoptions_

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

private

Referenced by operator()().

naccepted_

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

private

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

nfiltered_

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

private

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

threshold_

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