Rosetta: zinc2_homodimer_setup Class Reference

Inheritance diagram for zinc2_homodimer_setup:

Inheritance graph

Public Member Functions
	zinc2_homodimer_setup ()

virtual	~zinc2_homodimer_setup ()

virtual void	apply (Pose &pose)

virtual Pose	setup_grafted_monomer (Pose &pose)

virtual Pose	setup_homodimer (Pose &grafted_monomer)

virtual void	rollmove_to_inverse_C2_symmetry (Pose &homodimer)

virtual void	setup_metalsites (Pose &homodimer)

virtual void	setup_filter_clashes ()

virtual void	gridsearch_symmetric_alignments (Pose &homodimer)

virtual void	filter_metal_geom (Pose &homodimer, std::string angle_tag)

virtual void	filter_clashes (Pose &homodimer, std::string angle_tag)

virtual std::string	get_name () const

Private Attributes
Pose	match1_

Pose	match2_

Pose	homodimer_with_matches_

Size	zinc1_res_

Size	zinc2_res_

utility::vector1 < protocols::metal_interface::MetalSiteResidueOP >	msr_1_

utility::vector1 < protocols::metal_interface::MetalSiteResidueOP >	msr_2_

protocols::analysis::InterfaceAnalyzerMoverOP	interface_analyzer_

core::scoring::ScoreFunctionOP	scorefunction_

Constructor & Destructor Documentation

zinc2_homodimer_setup::zinc2_homodimer_setup ( )

inline

References match1, match2, basic::options::option, TR(), and value.

virtual zinc2_homodimer_setup::~zinc2_homodimer_setup ( )

inlinevirtual

Member Function Documentation

virtual void zinc2_homodimer_setup::apply ( Pose & pose )

inlinevirtual

References basic::options::OptionKeys::willmatch::homodimer, and TR().

Referenced by src.protocols.jd2.RosettaScriptWrapper::apply_to_failure().

virtual void zinc2_homodimer_setup::filter_clashes	(	Pose &	homodimer,
		std::string	angle_tag
	)

inlinevirtual

References utility::file::FileName::base(), ddG_centroid_cutoff, numeric::xyzVector< typename >::distance(), utility::file::FileName::name(), name, basic::options::option, TR(), value, and zn_zn_distance_cutoff.

virtual void zinc2_homodimer_setup::filter_metal_geom	(	Pose &	homodimer,
		std::string	angle_tag
	)

inlinevirtual

References numeric::angle_of(), numeric::conversions::degrees(), basic::options::OptionKeys::frags::j, basic::options::option, p1_1, p1_2, p1_3, tetrahedral_angle_sumsq_cutoff, TR(), and value.

virtual std::string zinc2_homodimer_setup::get_name ( ) const

inlinevirtual

virtual void zinc2_homodimer_setup::gridsearch_symmetric_alignments ( Pose & homodimer )

inlinevirtual

References basic::options::OptionKeys::hotspot::angle, angle_rotation_increment, and basic::options::option.

virtual void zinc2_homodimer_setup::rollmove_to_inverse_C2_symmetry ( Pose & homodimer )

inlinevirtual

References numeric::cross_product(), and numeric::midpoint().

virtual void zinc2_homodimer_setup::setup_filter_clashes ( )

inlinevirtual

References pyrosetta::get_score_function, and basic::options::OptionKeys::frags::scoring::scoring.

virtual Pose zinc2_homodimer_setup::setup_grafted_monomer ( Pose & pose )

inlinevirtual

References TR().

virtual Pose zinc2_homodimer_setup::setup_homodimer ( Pose & grafted_monomer )

inlinevirtual

References basic::options::OptionKeys::willmatch::homodimer, and TR().

virtual void zinc2_homodimer_setup::setup_metalsites ( Pose & homodimer )

inlinevirtual

References TR().

Member Data Documentation

Pose zinc2_homodimer_setup::homodimer_with_matches_

private

protocols::analysis::InterfaceAnalyzerMoverOP zinc2_homodimer_setup::interface_analyzer_

private

Pose zinc2_homodimer_setup::match1_

private

Pose zinc2_homodimer_setup::match2_

private

utility::vector1< protocols::metal_interface::MetalSiteResidueOP > zinc2_homodimer_setup::msr_1_

private

utility::vector1< protocols::metal_interface::MetalSiteResidueOP > zinc2_homodimer_setup::msr_2_

private

core::scoring::ScoreFunctionOP zinc2_homodimer_setup::scorefunction_

private

Size zinc2_homodimer_setup::zinc1_res_

private

Size zinc2_homodimer_setup::zinc2_res_

private

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

src/apps/public/design/zinc2_homodimer_setup.cc