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Public Member Functions | Private Attributes | List of all members
UBQ_GTPase_disulfide_Mover Class Reference
Inheritance diagram for UBQ_GTPase_disulfide_Mover:
Inheritance graph
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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
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
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.

Referenced by apply().

bool UBQ_GTPase_disulfide_Mover::reinitialize_for_each_job ( ) const
inlineoverride
bool UBQ_GTPase_disulfide_Mover::reinitialize_for_new_input ( ) const
inlineoverride

Member Data Documentation

utility::vector1< core::id::AtomID > UBQ_GTPase_disulfide_Mover::atomIDs
private

vector contains atomIDs for disulfide bond and atoms before/after bond to determine various torsions

Referenced by analyze_and_filter(), apply(), and init_on_new_input().

core::kinematics::MoveMapOP UBQ_GTPase_disulfide_Mover::disulfide_mm_
private

Referenced by apply(), and init_on_new_input().

utility::vector1< core::Size > UBQ_GTPase_disulfide_Mover::extra_bodies_chains_
private

used to track which chains are "extra" nonmoving bodies in extra bodies mode

Referenced by init_on_new_input().

core::scoring::ScoreFunctionOP UBQ_GTPase_disulfide_Mover::fullatom_scorefunction_
private
core::Size UBQ_GTPase_disulfide_Mover::GTPase_cyd_
private
protocols::analysis::InterfaceAnalyzerMoverOP UBQ_GTPase_disulfide_Mover::IAM_
private
bool UBQ_GTPase_disulfide_Mover::init_for_input_yet_ {false}
private

Referenced by apply(), and init_on_new_input().

std::string const UBQ_GTPase_disulfide_Mover::InterfaceSasaDefinition_
private
protocols::loops::Loop UBQ_GTPase_disulfide_Mover::loop_
private

Referenced by apply(), and init_on_new_input().

core::pose::Pose UBQ_GTPase_disulfide_Mover::starting_pose_
private

Referenced by apply(), and init_on_new_input().

core::pack::task::TaskFactoryOP UBQ_GTPase_disulfide_Mover::task_factory_
private

Referenced by apply(), and init_on_new_input().


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