ZincMinimize Class Reference

Inheritance diagram for ZincMinimize:

Public Member Functions
	ZincMinimize ()
virtual	~ZincMinimize ()
virtual void	add_zinc_constraints (core::pose::Pose &pose)
virtual void	set_scorefunction ()
virtual void	set_min_mover ()
virtual void	zn_min_pack (core::pose::Pose &pose)
virtual void	apply (core::pose::Pose &pose)
virtual std::string	get_name () const

Private Attributes
std::string	pdbname_
utility::file::FileName	pose_filename_
utility::vector1< devel::metal_interface::MetalSiteResidueOP >	msr_
core::scoring::ScoreFunctionOP	scorefxn_
core::scoring::ScoreFunctionOP	scorefxn_zn_
kinematics::MoveMapOP	movemap_
protocols::minimization_packing::MinMoverOP	min_mover_

Constructor & Destructor Documentation

ZincMinimize()

ZincMinimize::ZincMinimize ( )

inline

~ZincMinimize()

virtual ZincMinimize::~ZincMinimize ( )

inlinevirtual

Member Function Documentation

add_zinc_constraints()

virtual void ZincMinimize::add_zinc_constraints ( core::pose::Pose &  pose )

inlinevirtual

References create_a3b_hbs::i, beta_sc_scan::name3, beta_nonlocal::pose, and TR.

apply()

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

inlinevirtual

References local::bb_min, basic::options::option, beta_nonlocal::pose, local::zn_min_pack, and local::zn_minimize.

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().

get_name()

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

inlinevirtual

set_min_mover()

virtual void ZincMinimize::set_min_mover ( )

inlinevirtual

References vancomycin::min_mover, and basic::options::OptionKeys::in::file::movemap.

set_scorefunction()

virtual void ZincMinimize::set_scorefunction ( )

inlinevirtual

References pyrosetta.io::create_score_function, basic::options::option, oop_conformations::scorefxn, basic::options::OptionKeys::frags::scoring::scoring, and local::zn_constraint_weight.

zn_min_pack()

virtual void ZincMinimize::zn_min_pack ( core::pose::Pose &  pose )

inlinevirtual

References create_a3b_hbs::i, basic::options::option, option, beta_nonlocal::pose, basic::options::OptionKeys::packing::resfile, vancomycin::task, TR, basic::options::OptionKeys::inout::dbms::user, and local::zn_min_pack_cycles.

Member Data Documentation

min_mover_

protocols::minimization_packing::MinMoverOP ZincMinimize::min_mover_

private

movemap_

kinematics::MoveMapOP ZincMinimize::movemap_

private

msr_

utility::vector1< devel::metal_interface::MetalSiteResidueOP > ZincMinimize::msr_

private

pdbname_

std::string ZincMinimize::pdbname_

private

pose_filename_

utility::file::FileName ZincMinimize::pose_filename_

private

scorefxn_

core::scoring::ScoreFunctionOP ZincMinimize::scorefxn_

private

scorefxn_zn_

core::scoring::ScoreFunctionOP ZincMinimize::scorefxn_zn_

private

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

• src/apps/pilot/bder/ZincMinimize.cc