HDdesignMover Class Reference

Inheritance diagram for HDdesignMover:

Public Member Functions
	HDdesignMover ()
virtual void	apply (core::pose::Pose &pose)
virtual	~HDdesignMover ()
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::symmetry::SymmetricScoreFunctionOP scorefxn)
virtual MoverOP	clone () const
virtual MoverOP	fresh_instance () const
virtual std::string	get_name () const

Private Attributes
core::scoring::ScoreFunctionOP	scorefxn_a
core::scoring::symmetry::SymmetricScoreFunctionOP	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...

Detailed Description

Definition at line 119 of file homodimer_design.cc.

Constructor & Destructor Documentation

HDdesignMover::HDdesignMover

(

)

Definition at line 179 of file homodimer_design.cc.

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

virtual HDdesignMover::~HDdesignMover ( )

inlinevirtual

Definition at line 126 of file homodimer_design.cc.

Member Function Documentation

void HDdesignMover::ala_interface

(

core::pose::Pose &

pose

)

Definition at line 358 of file homodimer_design.cc.

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

virtual

Definition at line 426 of file homodimer_design.cc.

References test.T200_Scoring::ii, loops_kic::min_type, app.delta_score_per_mutation::mm, ContactMap::native, test.Workshop7test::native_pose, basic::options::option, option, app.surface_docking.surface_docking::pose, loops_kic::rms, TR(), utility::options::OptionKeys::options::user, and value.

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

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

Definition at line 366 of file homodimer_design.cc.

References test.T200_Scoring::hbond_set, test.T200_Scoring::ii, and TR().

void HDdesignMover::cloak_and_setup

(

core::pose::Pose &

pose

)

Definition at line 200 of file homodimer_design.cc.

References basic::options::option, rot, TR(), trans, and utility::options::OptionKeys::options::user.

virtual MoverOP HDdesignMover::clone ( ) const

inlinevirtual

Definition at line 141 of file homodimer_design.cc.

virtual MoverOP HDdesignMover::fresh_instance ( ) const

inlinevirtual

Definition at line 145 of file homodimer_design.cc.

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

inlinevirtual

Definition at line 150 of file homodimer_design.cc.

void HDdesignMover::register_calculators

(

)

Definition at line 225 of file homodimer_design.cc.

References TR().

void HDdesignMover::sym_repack_minimize

(

core::pose::Pose &

pose

)

Definition at line 291 of file homodimer_design.cc.

References end, test.T200_Scoring::ii, loops_kic::min_type, app.delta_score_per_mutation::mm, option, app.surface_docking.surface_docking::pose, TR(), basic::MetricValue< T >::value(), and value.

void HDdesignMover::task_constraint_setup

(

core::pose::Pose &

pose

)

Definition at line 240 of file homodimer_design.cc.

References app.surface_docking.surface_docking::constraints, disallow_res, basic::options::option, option, TR(), and utility::options::OptionKeys::options::user.

Member Data Documentation

bool HDdesignMover::ala_interface_

private

Definition at line 163 of file homodimer_design.cc.

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

private

Definition at line 169 of file homodimer_design.cc.

std::string HDdesignMover::disallow_res_

private

Definition at line 165 of file homodimer_design.cc.

bool HDdesignMover::find_bb_binding_E_

private

Definition at line 163 of file homodimer_design.cc.

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

private

Definition at line 170 of file homodimer_design.cc.

std::string HDdesignMover::InterfaceNeighborDefinition_

private

InterfaceNeighborDefinition calculator name string.

Definition at line 173 of file homodimer_design.cc.

Size HDdesignMover::monomer_nres_

private

Definition at line 162 of file homodimer_design.cc.

int HDdesignMover::n_pack_min_runs_

private

Definition at line 164 of file homodimer_design.cc.

core::scoring::symmetry::SymmetricScoreFunctionOP HDdesignMover::scorefxn_

private

Definition at line 158 of file homodimer_design.cc.

core::scoring::ScoreFunctionOP HDdesignMover::scorefxn_a

private

Definition at line 157 of file homodimer_design.cc.

bool HDdesignMover::skip_hd_docking_

private

Definition at line 163 of file homodimer_design.cc.

pack::task::PackerTaskOP HDdesignMover::task_design_

private

Definition at line 161 of file homodimer_design.cc.

TaskFactoryOP HDdesignMover::tf_design_

private

Definition at line 159 of file homodimer_design.cc.

---

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

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