zinc2_homodimer_design Class Reference

Inheritance diagram for zinc2_homodimer_design:

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

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::ScoreFunctionOP	fa_metal_sym_scorefxn_
protocols::minimization_packing::PackRotamersMoverOP	sym_pack_mover_
protocols::minimization_packing::MinMoverOP	sym_minmover_
protocols::minimization_packing::MinMoverOP	sym_minmover_sc_
protocols::minimization_packing::MinMoverOP	sym_minmover_bb_
core::kinematics::MoveMapOP	movemap_
core::kinematics::MoveMapOP	movemap_sc_
core::kinematics::MoveMapOP	movemap_bb_

Constructor & Destructor Documentation

zinc2_homodimer_design()

zinc2_homodimer_design::zinc2_homodimer_design ( )

inline

References TR.

~zinc2_homodimer_design()

zinc2_homodimer_design::~zinc2_homodimer_design ( )

overridedefault

Member Function Documentation

apply()

void zinc2_homodimer_design::apply ( Pose &  pose )

inlineoverride

References beta_nonlocal::pose, and basic::options::OptionKeys::broker::setup.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

design_symmetric_homodimer_metal_interface()

void zinc2_homodimer_design::design_symmetric_homodimer_metal_interface ( Pose &  pose )

inline

References create_a3b_hbs::i, mc, basic::options::OptionKeys::MonteCarlo::MonteCarlo, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, nstruct_iterations, basic::options::option, beta_nonlocal::pose, repackmin_iterations, challenge::ss, and TR.

get_name()

std::string zinc2_homodimer_design::get_name ( ) const

inlineoverride

setup()

void zinc2_homodimer_design::setup ( Pose &  pose )

inline

References utility::file::FileName::base(), and beta_nonlocal::pose.

Referenced by pyrosetta.distributed.tasks.taskbase.TaskBase::maybe_setup().

setup_metalsite()

void zinc2_homodimer_design::setup_metalsite ( Pose &  pose )

inline

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

setup_taskfactory_scorefunction_movers()

void zinc2_homodimer_design::setup_taskfactory_scorefunction_movers ( Pose &  pose )

inline

References basic::options::OptionKeys::constraints::constraints, fav_nat_bonus, create_a3b_hbs::i, basic::options::option, option, beta_nonlocal::pose, basic::options::OptionKeys::packing::resfile, basic::options::OptionKeys::frags::scoring::scoring, vancomycin::task, TR, basic::options::OptionKeys::inout::dbms::user, and value.

Member Data Documentation

fa_metal_scorefxn_

core::scoring::ScoreFunctionOP zinc2_homodimer_design::fa_metal_scorefxn_

private

fa_metal_sym_scorefxn_

core::scoring::ScoreFunctionOP zinc2_homodimer_design::fa_metal_sym_scorefxn_

private

movemap_

core::kinematics::MoveMapOP zinc2_homodimer_design::movemap_

private

movemap_bb_

core::kinematics::MoveMapOP zinc2_homodimer_design::movemap_bb_

private

movemap_sc_

core::kinematics::MoveMapOP zinc2_homodimer_design::movemap_sc_

private

msr1_

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

private

msr2_

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

private

pdbname_base_

std::string zinc2_homodimer_design::pdbname_base_

private

sym_minmover_

protocols::minimization_packing::MinMoverOP zinc2_homodimer_design::sym_minmover_

private

sym_minmover_bb_

protocols::minimization_packing::MinMoverOP zinc2_homodimer_design::sym_minmover_bb_

private

sym_minmover_sc_

protocols::minimization_packing::MinMoverOP zinc2_homodimer_design::sym_minmover_sc_

private

sym_pack_mover_

protocols::minimization_packing::PackRotamersMoverOP zinc2_homodimer_design::sym_pack_mover_

private

taskfactory_

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

private

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

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