Inheritance diagram for UBQ_E2Mover:

Public Member Functions
	UBQ_E2Mover ()

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_E2Mover () 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 Types
enum	atomID { CYS_C = 1, CYS_CA = 2, CYS_CB = 3, CYS_SG = 4, GLY_C = 5, GLY_CA = 6, GLY_N = 7, GLY2_C = 8, LYS_2HZ = 9, LYS_NZ = 10, LYS_CE = 11, LYS_CD = 12, atomID_tot = LYS_CD }

Private Attributes
bool	init_for_input_yet_ {false}

core::scoring::ScoreFunctionOP	fullatom_scorefunction_

core::pack::task::TaskFactoryOP	task_factory_

core::kinematics::MoveMapOP	thioester_mm_

protocols::loops::Loop	loop_

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

core::pose::Pose	starting_pose_

std::string const	InterfaceSasaDefinition_

protocols::analysis::InterfaceAnalyzerMoverOP	IAM_

bool	two_ubiquitins_ = false
	used for two-ubiquitins mode More...

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

core::Size	ubq2_lys_pos_in_complex_ = 0
	the lysine attachment position for the second ubiquitin (the second moving chain), in the whole complex numbering More...

Member Enumeration Documentation

enum UBQ_E2Mover::atomID

private

Enumerator
CYS_C
CYS_CA
CYS_CB
CYS_SG
GLY_C
GLY_CA
GLY_N
GLY2_C
LYS_2HZ
LYS_NZ
LYS_CE
LYS_CD
atomID_tot

Constructor & Destructor Documentation

UBQ_E2Mover::UBQ_E2Mover ( )

inline

References fullatom_scorefunction_, IAM_, InterfaceSasaDefinition_, basic::options::option, basic::options::OptionKeys::frags::scoring::scoring, TR, basic::options::OptionKeys::chemically_conjugated_docking::two_ubiquitins, and two_ubiquitins_.

UBQ_E2Mover::~UBQ_E2Mover ( )

overridedefault

Member Function Documentation

void UBQ_E2Mover::analyze_and_filter ( core::pose::Pose & pose )

inline

References atomIDs, erraser_util::copy(), numeric::conversions::degrees(), basic::options::OptionKeys::chemically_conjugated_docking::extra_bodies, fullatom_scorefunction_, IAM_, InterfaceSasaDefinition_, basic::options::option, basic::options::OptionKeys::chemically_conjugated_docking::publication, basic::options::OptionKeys::chemically_conjugated_docking::SASAfilter, erraser_single_res_analysis::score, basic::options::OptionKeys::chemically_conjugated_docking::scorefilter, TR, two_ubiquitins_, basic::options::OptionKeys::inout::dbms::user, basic::MetricValue< T >::value(), and value.

Referenced by apply().

void UBQ_E2Mover::apply ( core::pose::Pose & pose )

inlineoverride

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

protocols::moves::MoverOP UBQ_E2Mover::fresh_instance ( ) const

inlineoverride

std::string UBQ_E2Mover::get_name ( ) const

inlineoverride

virtual void UBQ_E2Mover::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().