HbondZincBackbone Class Reference

Inheritance diagram for HbondZincBackbone:

Public Member Functions
	HbondZincBackbone ()
virtual	~HbondZincBackbone ()
virtual void	apply (core::pose::Pose &pose)
virtual void	find_zinc (core::pose::Pose &pose)
virtual void	graft_match (core::pose::Pose &pose)
virtual void	repack (core::pose::Pose &pose)
virtual void	constrain_zinc (core::pose::Pose &pose)
virtual void	find_neighbors (core::pose::Pose &pose)
virtual void	carbonyl_hbond_search (core::pose::Pose &pose)
virtual Real	has_backbone_hbond (core::pose::Pose &pose, id::AtomID carbonyl_id)
virtual std::string	get_name () const

Private Attributes
core::pose::Pose	starting_pose_
utility::vector1< protocols::metal_interface::MetalSiteResidueOP >	msr_
utility::vector1< utility::vector1< Size > >	primary_shell_neighbors_
std::string	match_name_
std::string	scaffold_name_

Constructor & Destructor Documentation

HbondZincBackbone()

HbondZincBackbone::HbondZincBackbone ( )

inline

~HbondZincBackbone()

virtual HbondZincBackbone::~HbondZincBackbone ( )

inlinevirtual

Member Function Documentation

apply()

virtual void HbondZincBackbone::apply ( core::pose::Pose &  pose )

inlinevirtual

References find_neighbors(), beta_nonlocal::pose, basic::options::OptionKeys::casp::repack, and TR.

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase::__setitem__(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase::_maybe_delete_keys_from_sm_data(), and pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

carbonyl_hbond_search()

virtual void HbondZincBackbone::carbonyl_hbond_search ( core::pose::Pose &  pose )

inlinevirtual

References build_jacobian::distance, numeric::xyzVector< T >::distance(), beta_nonlocal::pose, and TR.

constrain_zinc()

virtual void HbondZincBackbone::constrain_zinc ( core::pose::Pose &  pose )

inlinevirtual

References beta_nonlocal::pose.

find_neighbors()

virtual void HbondZincBackbone::find_neighbors ( core::pose::Pose &  pose )

inlinevirtual

References end, create_a3b_hbs::i, create_a3b_hbs::j, beta_nonlocal::pose, and basic::MetricValue< T >::value().

find_zinc()

virtual void HbondZincBackbone::find_zinc ( core::pose::Pose &  pose )

inlinevirtual

References create_a3b_hbs::i, beta_nonlocal::pose, and TR.

get_name()

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

inlinevirtual

graft_match()

virtual void HbondZincBackbone::graft_match ( core::pose::Pose &  pose )

inlinevirtual

References create_a3b_hbs::i, basic::options::option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file(), scaffold_protein, TR, and value.

has_backbone_hbond()

virtual Real HbondZincBackbone::has_backbone_hbond ( core::pose::Pose &  pose, id::AtomID  carbonyl_id  )

inlinevirtual

References pyrosetta.io::create_score_function, beta_nonlocal::pose, res, and oop_conformations::scorefxn.

repack()

virtual void HbondZincBackbone::repack ( core::pose::Pose &  pose )

inlinevirtual

References pyrosetta.io::create_score_function, create_a3b_hbs::i, basic::options::option, beta_nonlocal::pose, oop_conformations::scorefxn, basic::options::OptionKeys::frags::scoring::scoring, vancomycin::task, TR, and basic::options::OptionKeys::packing::use_input_sc.

Member Data Documentation

match_name_

std::string HbondZincBackbone::match_name_

private

msr_

utility::vector1< protocols::metal_interface::MetalSiteResidueOP > HbondZincBackbone::msr_

private

primary_shell_neighbors_

utility::vector1< utility::vector1<Size> > HbondZincBackbone::primary_shell_neighbors_

private

scaffold_name_

std::string HbondZincBackbone::scaffold_name_

private

starting_pose_

core::pose::Pose HbondZincBackbone::starting_pose_

private

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

• src/apps/pilot/bder/HbondZincBackbone.cc