zinc2_homodimer_design Class Reference

Inheritance diagram for zinc2_homodimer_design:

Public Member Functions
	zinc2_homodimer_design ()
virtual	~zinc2_homodimer_design ()
virtual void	apply (Pose &pose)
void	setup (Pose &pose)
void	setup_metalsite (Pose &pose)
void	setup_taskfactory_scorefunction_movers (Pose &pose)
void	design_symmetric_homodimer_metal_interface (Pose &pose)
virtual std::string	get_name () const

Private Attributes
std::string	pdbname_base_
utility::vector1 < protocols::metal_interface::MetalSiteResidueOP >	msr1_
utility::vector1 < protocols::metal_interface::MetalSiteResidueOP >	msr2_
core::pack::task::TaskFactoryOP	taskfactory_
core::scoring::ScoreFunctionOP	fa_metal_scorefxn_
core::scoring::symmetry::SymmetricScoreFunctionOP	fa_metal_sym_scorefxn_
protocols::simple_moves::symmetry::SymPackRotamersMoverOP	sym_pack_mover_
protocols::simple_moves::symmetry::SymMinMoverOP	sym_minmover_
protocols::simple_moves::symmetry::SymMinMoverOP	sym_minmover_sc_
protocols::simple_moves::symmetry::SymMinMoverOP	sym_minmover_bb_
core::kinematics::MoveMapOP	movemap_
core::kinematics::MoveMapOP	movemap_sc_
core::kinematics::MoveMapOP	movemap_bb_

Detailed Description

Definition at line 77 of file zinc2_homodimer_design.cc.

Constructor & Destructor Documentation

zinc2_homodimer_design::zinc2_homodimer_design ( )

inline

Definition at line 79 of file zinc2_homodimer_design.cc.

References TR().

virtual zinc2_homodimer_design::~zinc2_homodimer_design ( )

inlinevirtual

Definition at line 105 of file zinc2_homodimer_design.cc.

Member Function Documentation

virtual void zinc2_homodimer_design::apply ( Pose &  pose )

inlinevirtual

Definition at line 109 of file zinc2_homodimer_design.cc.

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

void zinc2_homodimer_design::design_symmetric_homodimer_metal_interface ( Pose &  pose )

inline

Definition at line 277 of file zinc2_homodimer_design.cc.

References demo.D060_Folding::mc, nstruct_iterations, basic::options::option, repackmin_iterations, and TR().

virtual std::string zinc2_homodimer_design::get_name ( ) const

inlinevirtual

Definition at line 333 of file zinc2_homodimer_design.cc.

void zinc2_homodimer_design::setup ( Pose &  pose )

inline

Definition at line 123 of file zinc2_homodimer_design.cc.

References utility::file::FileName::base().

void zinc2_homodimer_design::setup_metalsite ( Pose &  pose )

inline

Definition at line 143 of file zinc2_homodimer_design.cc.

References TR().

void zinc2_homodimer_design::setup_taskfactory_scorefunction_movers ( Pose &  pose )

inline

Definition at line 187 of file zinc2_homodimer_design.cc.

References app.surface_docking.surface_docking::constraints, fav_nat_bonus, basic::options::option, option, options, app.delta_score_per_mutation::task, TR(), utility::options::OptionKeys::options::user, and value.

Member Data Documentation

core::scoring::ScoreFunctionOP zinc2_homodimer_design::fa_metal_scorefxn_

private

Definition at line 344 of file zinc2_homodimer_design.cc.

core::scoring::symmetry::SymmetricScoreFunctionOP zinc2_homodimer_design::fa_metal_sym_scorefxn_

private

Definition at line 345 of file zinc2_homodimer_design.cc.

core::kinematics::MoveMapOP zinc2_homodimer_design::movemap_

private

Definition at line 352 of file zinc2_homodimer_design.cc.

core::kinematics::MoveMapOP zinc2_homodimer_design::movemap_bb_

private

Definition at line 354 of file zinc2_homodimer_design.cc.

core::kinematics::MoveMapOP zinc2_homodimer_design::movemap_sc_

private

Definition at line 353 of file zinc2_homodimer_design.cc.

utility::vector1< protocols::metal_interface::MetalSiteResidueOP > zinc2_homodimer_design::msr1_

private

Definition at line 340 of file zinc2_homodimer_design.cc.

utility::vector1< protocols::metal_interface::MetalSiteResidueOP > zinc2_homodimer_design::msr2_

private

Definition at line 341 of file zinc2_homodimer_design.cc.

std::string zinc2_homodimer_design::pdbname_base_

private

Definition at line 338 of file zinc2_homodimer_design.cc.

protocols::simple_moves::symmetry::SymMinMoverOP zinc2_homodimer_design::sym_minmover_

private

Definition at line 348 of file zinc2_homodimer_design.cc.

protocols::simple_moves::symmetry::SymMinMoverOP zinc2_homodimer_design::sym_minmover_bb_

private

Definition at line 350 of file zinc2_homodimer_design.cc.

protocols::simple_moves::symmetry::SymMinMoverOP zinc2_homodimer_design::sym_minmover_sc_

private

Definition at line 349 of file zinc2_homodimer_design.cc.

protocols::simple_moves::symmetry::SymPackRotamersMoverOP zinc2_homodimer_design::sym_pack_mover_

private

Definition at line 347 of file zinc2_homodimer_design.cc.

core::pack::task::TaskFactoryOP zinc2_homodimer_design::taskfactory_

private

Definition at line 343 of file zinc2_homodimer_design.cc.

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

• src/apps/public/design/zinc2_homodimer_design.cc