Inheritance diagram for UBQ_GTPase_disulfide_Mover:

Public Member Functions
	UBQ_GTPase_disulfide_Mover ()

virtual void	init_on_new_input ()
	init_on_new_input system allows for initializing these details the first time apply() is called. the job distributor will reinitialize the whole mover when the input changes (a freshly constructed mover, which will re-run this on first apply(). More...

	~UBQ_GTPase_disulfide_Mover () override=default

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

void	analyze_and_filter (core::pose::Pose &pose)

protocols::moves::MoverOP	fresh_instance () const override

bool	reinitialize_for_each_job () const override

bool	reinitialize_for_new_input () const override

std::string	get_name () const override

Private Attributes
bool	init_for_input_yet_ {false}

core::scoring::ScoreFunctionOP	fullatom_scorefunction_

core::pack::task::TaskFactoryOP	task_factory_

core::kinematics::MoveMapOP	disulfide_mm_

protocols::loops::Loop	loop_

utility::vector1 < core::id::AtomID >	atomIDs
	vector contains atomIDs for disulfide bond and atoms before/after bond to determine various torsions More...

core::pose::Pose	starting_pose_

std::string const	InterfaceSasaDefinition_

protocols::analysis::InterfaceAnalyzerMoverOP	IAM_

core::Size	GTPase_cyd_

utility::vector1< core::Size >	extra_bodies_chains_
	used to track which chains are "extra" nonmoving bodies in extra bodies mode More...

Constructor & Destructor Documentation

UBQ_GTPase_disulfide_Mover::UBQ_GTPase_disulfide_Mover ( )

inline

References fullatom_scorefunction_, IAM_, InterfaceSasaDefinition_, basic::options::OptionKeys::frags::scoring::scoring, and TR.

UBQ_GTPase_disulfide_Mover::~UBQ_GTPase_disulfide_Mover ( )

overridedefault

Member Function Documentation

void UBQ_GTPase_disulfide_Mover::analyze_and_filter ( core::pose::Pose & pose )

inline

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

inlineoverride

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

protocols::moves::MoverOP UBQ_GTPase_disulfide_Mover::fresh_instance ( ) const

inlineoverride

std::string UBQ_GTPase_disulfide_Mover::get_name ( ) const

inlineoverride

virtual void UBQ_GTPase_disulfide_Mover::init_on_new_input ( )

inlinevirtual

init_on_new_input system allows for initializing these details the first time apply() is called. the job distributor will reinitialize the whole mover when the input changes (a freshly constructed mover, which will re-run this on first apply().

References apps::public1::scenarios::chemically_conjugated_docking::add_extra_bodies(), atomIDs, disulfide_mm_, basic::options::OptionKeys::score::empty, basic::options::OptionKeys::cutoutdomain::end, basic::Tracer::Error, basic::options::OptionKeys::chemically_conjugated_docking::extra_bodies, extra_bodies_chains_, pyrosetta.toolbox.load_ligand::fa_standard, assign_charges::first, GTPase_cyd_, basic::options::OptionKeys::chemically_conjugated_docking::GTPase_residue, basic::options::OptionKeys::chemically_conjugated_docking::GTPasepdb, init_for_input_yet_, basic::options::OptionKeys::frags::j, loop_, basic::options::OptionKeys::loops::loop_file, basic::options::OptionKeys::chemically_conjugated_docking::n_tail_res, basic::options::option, apps::public1::scenarios::chemically_conjugated_docking::pack_extra_bodies(), pyrosetta.distributed.io::pose_from_file, numeric::conversions::radians(), test.G101_Functions_Output::regions, basic::options::OptionKeys::packing::resfile, basic::options::OptionKeys::in::file::residue_type_set, runtime_assert, starting_pose_, test.G200_Module_Region::task, task_factory_, TR, basic::options::OptionKeys::chemically_conjugated_docking::UBQpdb, basic::options::OptionKeys::inout::dbms::user, and value.