HDdesignMover Class Reference

Inheritance diagram for HDdesignMover:

Public Member Functions
	HDdesignMover ()
void	apply (core::pose::Pose &pose) override
	~HDdesignMover () override=default
void	cloak_and_setup (core::pose::Pose &pose)
void	task_constraint_setup (core::pose::Pose &pose)
void	sym_repack_minimize (core::pose::Pose &pose)
void	register_calculators ()
void	ala_interface (core::pose::Pose &pose)
core::Real	calc_bb_E (core::pose::Pose &pose, core::scoring::ScoreFunctionOP scorefxn)
MoverOP	clone () const override
MoverOP	fresh_instance () const override
std::string	get_name () const override

Private Attributes
core::scoring::ScoreFunctionOP	scorefxn_a
core::scoring::ScoreFunctionOP	scorefxn_
TaskFactoryOP	tf_design_
pack::task::PackerTaskOP	task_design_
Size	monomer_nres_
bool	ala_interface_
bool	find_bb_binding_E_
bool	skip_hd_docking_
int	n_pack_min_runs_
std::string	disallow_res_
protocols::protein_interface_design::movers::BuildAlaPoseOP	build_ala_mover_
protocols::protein_interface_design::movers::SaveAndRetrieveSidechainsOP	get_sidechains_mover_
std::string	InterfaceNeighborDefinition_
	InterfaceNeighborDefinition calculator name string. More...

Constructor & Destructor Documentation

HDdesignMover()

HDdesignMover::HDdesignMover

(

)

References disallow_res, find_bb_hbond_E, make_ala_interface, option, pack_min_runs, and skip_hd_docking.

~HDdesignMover()

HDdesignMover::~HDdesignMover ( )

overridedefault

Member Function Documentation

ala_interface()

void HDdesignMover::ala_interface

(

core::pose::Pose &

pose

)

References beta_nonlocal::pose.

apply()

void HDdesignMover::apply ( core::pose::Pose &  pose )

override

References pyrosetta::create_score_function, create_a3b_hbs::ii, basic::options::OptionKeys::dna::specificity::min_type, beta_nonlocal::mm, in::file::native(), docking::native_pose, basic::options::option, option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, loops_kic::rms, TR, basic::options::OptionKeys::inout::dbms::user, and value.

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

calc_bb_E()

core::Real HDdesignMover::calc_bb_E	(	core::pose::Pose &	pose,
		core::scoring::ScoreFunctionOP	scorefxn
	)

References basic::options::OptionKeys::in::file::dssp, basic::options::OptionKeys::mp::scoring::hbond, test.T200_Scoring::hbond_set, create_a3b_hbs::ii, beta_nonlocal::pose, oop_conformations::scorefxn, and TR.

cloak_and_setup()

void HDdesignMover::cloak_and_setup

(

core::pose::Pose &

pose

)

References basic::options::option, basic::options::OptionKeys::symmetry::perturb_rigid_body_dofs, beta_nonlocal::pose, rot, TR, trans, and basic::options::OptionKeys::inout::dbms::user.

clone()

MoverOP HDdesignMover::clone ( ) const

inlineoverride

fresh_instance()

MoverOP HDdesignMover::fresh_instance ( ) const

inlineoverride

get_name()

std::string HDdesignMover::get_name ( ) const

inlineoverride

register_calculators()

void HDdesignMover::register_calculators

(

)

References local::chain1, local::chain2, and TR.

sym_repack_minimize()

void HDdesignMover::sym_repack_minimize

(

core::pose::Pose &

pose

)

References create_a3b_hbs::ii, basic::options::OptionKeys::dna::specificity::min_type, beta_nonlocal::mm, option, beta_nonlocal::pose, TR, basic::MetricValue< T >::value(), and value.

task_constraint_setup()

void HDdesignMover::task_constraint_setup

(

core::pose::Pose &

pose

)

References basic::options::OptionKeys::constraints::constraints, disallow_res, basic::options::OptionKeys::enzdes::favor_native_res, create_a3b_hbs::i, basic::options::option, option, beta_nonlocal::pose, basic::options::OptionKeys::packing::resfile, TR, and basic::options::OptionKeys::inout::dbms::user.

Member Data Documentation

ala_interface_

bool HDdesignMover::ala_interface_

private

build_ala_mover_

protocols::protein_interface_design::movers::BuildAlaPoseOP HDdesignMover::build_ala_mover_

private

disallow_res_

std::string HDdesignMover::disallow_res_

private

find_bb_binding_E_

bool HDdesignMover::find_bb_binding_E_

private

get_sidechains_mover_

protocols::protein_interface_design::movers::SaveAndRetrieveSidechainsOP HDdesignMover::get_sidechains_mover_

private

InterfaceNeighborDefinition_

std::string HDdesignMover::InterfaceNeighborDefinition_

private

InterfaceNeighborDefinition calculator name string.

monomer_nres_

Size HDdesignMover::monomer_nres_

private

n_pack_min_runs_

int HDdesignMover::n_pack_min_runs_

private

scorefxn_

core::scoring::ScoreFunctionOP HDdesignMover::scorefxn_

private

scorefxn_a

core::scoring::ScoreFunctionOP HDdesignMover::scorefxn_a

private

skip_hd_docking_

bool HDdesignMover::skip_hd_docking_

private

task_design_

pack::task::PackerTaskOP HDdesignMover::task_design_

private

tf_design_

TaskFactoryOP HDdesignMover::tf_design_

private

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

• src/apps/public/scenarios/beta_strand_homodimer_design/homodimer_design.cc