CenRotDockingMover Class Reference

Inheritance diagram for CenRotDockingMover:

Public Member Functions
	CenRotDockingMover ()
void	skip_repack ()
void	slide_into_contact (Pose &pose)
void	init (Pose &pose)
void	setup (Pose &pose)
std::string	get_name () const override
void	apply (Pose &pose) override

Private Attributes
core::scoring::ScoreFunctionOP	scorefxn_dock_
core::scoring::ScoreFunctionOP	scorefxn_repack_
moves::MonteCarloOP	mc_
minimization_packing::PackRotamersMoverOP	pack_rotamers_
protocols::rigid::RigidBodyPerturbNoCenterMoverOP	rb_mover_
moves::TrialMoverOP	trial_
moves::SequenceMoverOP	combo_
Size	inner_cycles_
Size	outer_cycles_
Real	temperature_
bool	first_run_ {true}
Real	rot_magnitude_
Real	trans_magnitude_
bool	do_repack_

Constructor & Destructor Documentation

CenRotDockingMover()

CenRotDockingMover::CenRotDockingMover ( )

inline

References pyrosetta.distributed.io::get_score_function(), option, and basic::options::OptionKeys::remodel::vdw.

Member Function Documentation

apply()

void CenRotDockingMover::apply ( Pose &  pose )

inlineoverride

References create_a3b_hbs::i, basic::init(), option, beta_nonlocal::pose, and basic::options::OptionKeys::broker::setup.

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()

std::string CenRotDockingMover::get_name ( ) const

inlineoverride

init()

void CenRotDockingMover::init ( Pose &  pose )

inline

References basic::options::OptionKeys::docking::docking, basic::options::OptionKeys::in::file::dssp, basic::options::OptionKeys::docking::partners, beta_nonlocal::pose, docking::slide_into_contact, and TR.

setup()

void CenRotDockingMover::setup ( Pose &  pose )

inline

References beta_nonlocal::mm, and beta_nonlocal::pose.

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

skip_repack()

void CenRotDockingMover::skip_repack ( )

inline

slide_into_contact()

void CenRotDockingMover::slide_into_contact ( Pose &  pose )

inline

References demo.D060_Folding::counter, beta_nonlocal::pose, TR, and basic::options::OptionKeys::remodel::vdw.

Member Data Documentation

combo_

moves::SequenceMoverOP CenRotDockingMover::combo_

private

do_repack_

bool CenRotDockingMover::do_repack_

private

first_run_

bool CenRotDockingMover::first_run_ {true}

private

inner_cycles_

Size CenRotDockingMover::inner_cycles_

private

mc_

moves::MonteCarloOP CenRotDockingMover::mc_

private

outer_cycles_

Size CenRotDockingMover::outer_cycles_

private

pack_rotamers_

minimization_packing::PackRotamersMoverOP CenRotDockingMover::pack_rotamers_

private

rb_mover_

protocols::rigid::RigidBodyPerturbNoCenterMoverOP CenRotDockingMover::rb_mover_

private

rot_magnitude_

Real CenRotDockingMover::rot_magnitude_

private

scorefxn_dock_

core::scoring::ScoreFunctionOP CenRotDockingMover::scorefxn_dock_

private

scorefxn_repack_

core::scoring::ScoreFunctionOP CenRotDockingMover::scorefxn_repack_

private

temperature_

Real CenRotDockingMover::temperature_

private

trans_magnitude_

Real CenRotDockingMover::trans_magnitude_

private

trial_

moves::TrialMoverOP CenRotDockingMover::trial_

private

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

• src/apps/pilot/wendao/cenrot_jd2.cc