Rosetta
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Task class that gives instructions to the packer. More...
#include <PackerTask.hh>
Public Types | |
typedef chemical::AA | AA |
typedef rotamer_set::RotamerCouplingsCOP | RotamerCouplingsCOP |
typedef rotamer_set::RotamerLinksCOP | RotamerLinksCOP |
Public Member Functions | |
virtual PackerTaskOP | clone () const =0 |
PackerTaskCOP | get_self_ptr () const |
self pointers More... | |
PackerTaskOP | get_self_ptr () |
virtual void | clean_residue_task (conformation::Residue const &original_residue, Size const seqpos, core::pose::Pose const &pose)=0 |
virtual Size | total_residue () const =0 |
virtual void | temporarily_fix_everything ()=0 |
virtual void | temporarily_set_pack_residue (int resid, bool setting)=0 |
virtual bool | pack_residue (int resid) const =0 |
virtual bool | being_packed (Size resid) const =0 |
virtual Size | num_to_be_packed () const =0 |
virtual bool | design_residue (int resid) const =0 |
virtual bool | being_designed (Size resid) const =0 |
virtual bool | design_any () const =0 |
virtual void | set_bump_check (bool setting)=0 |
virtual bool | bump_check () const =0 |
virtual void | and_max_rotbump_energy (Real setting)=0 |
virtual Real | max_rotbump_energy () const =0 |
virtual void | or_include_current (bool setting)=0 |
virtual void | or_include_current (bool setting, Size resid)=0 |
virtual bool | include_current (Size resid) const =0 |
virtual void | add_behavior (std::string const &behavior)=0 |
virtual void | add_behavior (std::string const &behavior, Size resid)=0 |
virtual bool | has_behavior (std::string const &behavior, Size resid) const =0 |
virtual bool | has_behavior (Size resid) const =0 |
virtual void | or_adducts (bool setting)=0 |
virtual void | or_adducts (bool setting, Size resid)=0 |
virtual bool | adducts (Size resid) const =0 |
virtual void | or_optimize_h_mode (bool setting)=0 |
virtual void | or_preserve_c_beta (bool setting)=0 |
virtual void | or_flip_HNQ (bool setting)=0 |
virtual void | or_fix_his_tautomer (utility::vector1< int > const &positions, bool setting)=0 |
virtual void | or_linmem_ig (bool setting)=0 |
Activate a LinearMemoryInteraction graph that uses 95% less memory in design runs and runs twice as fast. (Not faster for fixed-sequence repackings). More... | |
virtual void | and_linmem_ig (bool setting)=0 |
virtual bool | linmem_ig () const =0 |
virtual void | decrease_linmem_ig_history_size (Size setting)=0 |
virtual Size | linmem_ig_history_size () const =0 |
virtual void | or_precompute_ig (bool setting)=0 |
Explicitly request the O( N^2 ) precomputed graph. More... | |
virtual bool | precompute_ig () const =0 |
virtual void | or_lazy_ig (bool setting)=0 |
Activate a LazyInteractionGraph that computes rotamer pair energies at most once. More... | |
virtual bool | lazy_ig () const =0 |
virtual void | or_double_lazy_ig (bool setting)=0 |
Activates the DoubleLazyInteractionGraph, which computes rotamer pair energies at most once, and delays allocating memory to hold them until needed. Used for multistate design. More... | |
virtual bool | double_lazy_ig () const =0 |
virtual void | decrease_double_lazy_ig_memlimit (Size nbytes_for_rpes)=0 |
virtual Size | double_lazy_ig_memlimit () const =0 |
virtual void | or_multi_cool_annealer (bool setting)=0 |
virtual bool | multi_cool_annealer () const =0 |
virtual void | increase_multi_cool_annealer_history_size (Size setting)=0 |
virtual Size | multi_cool_annealer_history_size () const =0 |
virtual bool | smart_annealer () const =0 |
virtual std::string | smart_annealer_model () const =0 |
virtual core::Real | smart_annealer_cutoff () const =0 |
virtual bool | smart_annealer_pick_again () const =0 |
virtual bool | smart_annealer_disable_during_quench () const =0 |
virtual void | set_smart_annealer (bool setting)=0 |
virtual void | set_smart_annealer_model (std::string const &setting)=0 |
virtual void | set_smart_annealer_cutoff (core::Real setting)=0 |
virtual void | set_smart_annealer_pick_again (bool setting)=0 |
virtual void | set_smart_annealer_disable_during_quench (bool setting)=0 |
virtual void | show (std::ostream &out) const =0 |
virtual void | show () const =0 |
virtual void | show_residue_task (std::ostream &out, Size resid) const =0 |
virtual void | show_residue_task (Size resid) const =0 |
virtual void | show_all_residue_tasks (std::ostream &out) const =0 |
virtual void | show_all_residue_tasks () const =0 |
virtual bool | is_initialized () const =0 |
Has this PackerTask been initialized with a PackerPalette? More... | |
virtual PackerTask & | initialize_from_command_line ()=0 |
virtual PackerTask & | initialize_extra_rotamer_flags_from_command_line ()=0 |
virtual PackerTask & | initialize_from_options (utility::options::OptionCollection const &options)=0 |
virtual PackerTask & | initialize_extra_rotamer_flags_from_options (utility::options::OptionCollection const &options)=0 |
virtual PackerTask & | restrict_to_residues (utility::vector1< bool > const &residues_allowed_to_be_packed)=0 |
virtual PackerTask & | restrict_to_repacking ()=0 |
virtual ResidueLevelTask const & | residue_task (Size resid) const =0 |
virtual ResidueLevelTask & | nonconst_residue_task (Size resid)=0 |
virtual utility::vector1< bool > | repacking_residues () const =0 |
virtual utility::vector1< bool > | designing_residues () const =0 |
virtual bool | keep_sequence_symmetry () const =0 |
virtual void | keep_sequence_symmetry (bool const setting)=0 |
virtual std::string | sequence_symmetric_uid_prefix () const =0 |
virtual void | sequence_symmetric_uid_prefix (std::string const &prefix)=0 |
virtual bool | rotamer_couplings_exist () const =0 |
virtual RotamerCouplingsCOP | rotamer_couplings () const =0 |
virtual void | rotamer_couplings (RotamerCouplingsCOP setting)=0 |
virtual bool | rotamer_links_exist () const =0 |
virtual RotamerLinksCOP | rotamer_links () const =0 |
virtual void | rotamer_links (RotamerLinksCOP setting)=0 |
virtual IGEdgeReweightContainerCOP | IGEdgeReweights () const =0 |
virtual IGEdgeReweightContainerOP | set_IGEdgeReweights ()=0 |
virtual void | append_rotamer_operation (rotamer_set::RotamerOperationOP rotop)=0 |
virtual void | append_rotamerset_operation (rotamer_set::RotamerSetOperationOP rotsetop)=0 |
virtual rotamer_set::RotSetsOperationListIterator | rotamer_sets_operation_begin () const =0 |
virtual rotamer_set::RotSetsOperationListIterator | rotamer_sets_operation_end () const =0 |
virtual void | append_rotamersets_operation (rotamer_set::RotamerSetsOperationOP rotsetsop)=0 |
virtual core::Real | rotamer_prob_buried () const =0 |
virtual core::Real | rotamer_prob_nonburied () const =0 |
virtual core::Real | rotamer_prob_buried_semi () const =0 |
virtual core::Real | rotamer_prob_nonburied_semi () const =0 |
virtual void | rotamer_prob_buried (core::Real)=0 |
virtual void | rotamer_prob_nonburied (core::Real)=0 |
virtual void | rotamer_prob_buried_semi (core::Real)=0 |
virtual void | rotamer_prob_nonburied_semi (core::Real)=0 |
virtual void | low_temp (Real const &low_temp)=0 |
virtual void | high_temp (Real const &high_temp)=0 |
virtual void | disallow_quench (bool const &disallow_quench)=0 |
virtual Real | low_temp () const =0 |
virtual Real | high_temp () const =0 |
virtual bool | disallow_quench () const =0 |
virtual std::string | task_string (pose::Pose const &pose) const =0 |
virtual void | remap_residue_level_tasks (core::id::SequenceMappingCOP seqmap, core::pose::Pose const &pose)=0 |
virtual void | update_commutative (PackerTask const &to_copy)=0 |
virtual void | request_symmetrize_by_intersection ()=0 |
virtual void | request_symmetrize_by_union ()=0 |
virtual bool | symmetrize_by_union () const =0 |
virtual bool | symmetrize_by_intersection () const =0 |
virtual core::Size | ig_threads_to_request () const =0 |
How many threads should the packer request for interaction graph precomputation? More... | |
virtual void | limit_ig_setup_threads (core::Size const setting)=0 |
Limit the interaction graph setup threads. More... | |
Static Public Member Functions | |
static void | list_options_read (utility::options::OptionKeyList &read_options) |
Friends | |
std::ostream & | operator<< (std::ostream &os, PackerTask const &t) |
output operator More... | |
Task class that gives instructions to the packer.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::AppendRotamer::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::splice::SampleRotamersFromPDB::apply(), protocols::task_operations::ImportUnboundRotamersOperation::apply(), protocols::task_operations::JointSequenceOperation::apply(), protocols::task_operations::LimitAromaChi2Operation::apply(), and core::pack::task::operation::AppendRotamerSet::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::toolbox::rotamer_set_operations::RigidBodyMoveBaseRSO::alter_rotamer_set(), protocols::motifs::LigandMotifSearch::run(), protocols::enzdes::EnzdesBaseProtocol::setup_sequence_recovery_cache(), and protocols::task_operations::ConservativeDesignOperation::skip_resid().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::hotspot_hashing::AddSearchPatternRotSetOp::apply(), protocols::enzdes::AddRigidBodyLigandConfs::apply(), core::pack::scmin::AtomTreeCollection::AtomTreeCollection(), core::pack::rotamer_set::ContinuousRotamerSets::ContinuousRotamerSets(), core::pack::create_minimization_graph(), core::pack::interaction_graph::estimate_n_2body_calcs_for_precomputation(), and core::pack::setup_bgres_cops().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::toolbox::rotamer_set_operations::AddGood2BPairEnergyRotamers::alter_rotamer_set(), core::pack::rotamer_set::PyRotamerEliminator::alter_rotamer_sets(), protocols::minimization_packing::RotamerTrialsMinMover::RotamerTrialsMinMover(), protocols::minimization_packing::symmetry::SymRotamerTrialsMover::RotamerTrialsMover(), protocols::rotamer_recovery::RRProtocolPackRotamers::run(), protocols::rotamer_recovery::RRProtocolRotamerTrials::run(), protocols::rotamer_recovery::RRProtocolRTMin::run(), core::pack::interaction_graph::HPatchInteractionGraph< V, E, G >::set_packer_task(), core::pack::interaction_graph::NPDHBondInteractionGraph< V, E, G >::set_packer_task(), and core::pack::interaction_graph::SurfaceInteractionGraph< V, E, G >::set_packer_task().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::enzdes::DetectProteinLigandInterface::apply(), protocols::enzdes::ProteinLigandInterfaceUpweighter::apply(), protocols::dna::design_residues_list(), protocols::toolbox::IGLigandDesignEdgeUpweighter::get_edge_reweight(), and protocols::enzdes::EnzdesFlexBBProtocol::modified_task().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::ResidueProbDesignOperation::apply().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::ModifyAnnealer::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
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self pointers
Referenced by protocols::symmetric_docking::SymRestrictTaskForDocking::apply(), and protocols::rotamer_recovery::RRProtocolMinPack::run().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::ModifyAnnealer::apply(), and protocols::optimize_weights::ScaleAnnealerTemperatureOperation::apply().
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How many threads should the packer request for interaction graph precomputation?
Must be implemented by derived class.
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::auto_use_linmem_ig(), core::pack::interaction_graph::InteractionGraphFactory::create_and_initialize_two_body_interaction_graph(), and core::pack::interaction_graph::make_linmem_ig().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::RotamerSet_::build_filtered_tp3_water_rotamers(), core::pack::rotamer_set::build_rna_rotamers(), core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete(), core::pack::rotamer_set::RotamerSet_::build_tp3_water_rotamers(), core::pack::rotamer_set::RotamerSet_::build_virtualizable_rotatable_water_rotamers(), core::pack::rotamers::SingleResidueRotamerLibrary::current_rotamer(), protocols::rotamer_recovery::RRProtocolRotamerTrials::run(), and protocols::rotamer_recovery::RRProtocolRTMin::run().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::EnableMultiCoolAnnealer::apply(), and core::pack::task::operation::UseMultiCoolAnnealer::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::InitializeExtraRotsFromCommandline::apply().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::InitializeFromOptionCollection::apply().
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Has this PackerTask been initialized with a PackerPalette?
PackerTasks must be initialized with PackerPalettes before being modified with TaskOperations. The TaskFactory will initialize the PackerTask with a DefaultPackerPalette if no custom PackerPalette is provided.
Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::KeepSequenceSymmetry::apply().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
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Limit the interaction graph setup threads.
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::RestrictInteractionGraphThreadsOperation::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::make_linmem_ig().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::ModifyAnnealer::apply(), and protocols::optimize_weights::ScaleAnnealerTemperatureOperation::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::build_rotated_water_rotamers(), and core::pack::rotamers::SingleResidueRotamerLibrary::bump_filter().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::hotspot_hashing::AddSearchPatternRotSetOp::apply(), protocols::matdes::BuildingBlockInterfaceOperation::apply(), protocols::task_operations::CrystalContactsOperation::apply(), protocols::task_operations::RestrictIdentitiesOperation::apply(), protocols::task_operations::RestrictToTerminiOperation::apply(), protocols::task_operations::SelectByDeltaScoreOperation::apply(), protocols::task_operations::SelectByDensityFitOperation::apply(), protocols::task_operations::SelectBySASAOperation::apply(), core::pack::task::operation::DesignRestrictions::apply(), core::pack::task::operation::FillAUTOTaskOperation::apply(), core::pack::task::operation::ReplicateTask::apply(), protocols::simple_task_operations::DockingNoRepack1::apply(), protocols::simple_task_operations::DockingNoRepack2::apply(), protocols::simple_task_operations::RestrictToInterface::apply(), protocols::task_operations::ConservativeDesignOperation::apply(), protocols::task_operations::InteractingRotamerExplosion::apply(), protocols::task_operations::MutationSetDesignOperation::apply(), protocols::task_operations::pHVariantTaskOperation::apply(), protocols::task_operations::ResidueProbDesignOperation::apply(), protocols::task_operations::RestrictNonSurfaceToRepackingOperation::apply(), core::pack::task::operation::OperateOnCertainResidues::apply(), core::pack::task::operation::OperateOnResidueSubset::apply(), protocols::enzdes::AddRigidBodyLigandConfs::apply(), core::pack::task::operation::OptH::apply(), protocols::task_operations::DsspDesignOperation::apply(), protocols::dna::RestrictDesignToProteinDNAInterface::apply(), core::pack::task::operation::ClashBasedRepackShell::apply(), core::pack::task::operation::NoRepackDisulfides::apply(), protocols::enzdes::SetCatalyticResPackBehavior::apply(), protocols::enzdes::DetectProteinLigandInterface::apply(), protocols::flxbb::LayerDesignOperation::apply(), protocols::hbnet::ConstrainHBondNetwork::apply(), protocols::task_operations::JointSequenceOperation::apply(), protocols::task_operations::RestrictNativeResiduesOperation::apply(), protocols::task_operations::SeqprofConsensusOperation::apply(), protocols::task_operations::RestrictConservedLowDdgOperation::apply(), core::pack::task::operation::RestrictResidueToRepacking::apply(), core::pack::task::operation::RestrictAbsentCanonicalAAS::apply(), core::pack::task::operation::DisallowIfNonnative::apply(), core::pack::task::operation::RotamerExplosion::apply(), core::pack::task::operation::ExtraRotamersGeneric::apply(), core::pack::task::operation::AppendResidueRotamerSet::apply(), core::pack::task::operation::PreventRepacking::apply(), core::pack::task::operation::ExtraRotamers::apply(), core::pack::task::operation::ExtraChiCutoff::apply(), core::pack::task::operation::RestrictYSDesign::apply(), core::pack::task::operation::RestrictToSpecifiedBaseResidueTypes::apply(), core::pack::task::operation::ProhibitSpecifiedBaseResidueTypes::apply(), core::pack::task::operation::RestrictToResidueProperties::apply(), core::pack::task::operation::ProhibitResidueProperties::apply(), protocols::denovo_design::task_operations::ConsensusLoopDesignOperation::disallow_aas(), core::pack::task::NATRO::residue_action(), core::pack::task::NATAA::residue_action(), core::pack::task::ALLAAxc::residue_action(), core::pack::task::PIKAA::residue_action(), core::pack::task::PIKNA::residue_action(), core::pack::task::NOTAA::residue_action(), core::pack::task::PROPERTY::residue_action(), core::pack::task::POLAR::residue_action(), core::pack::task::APOLAR::residue_action(), core::pack::task::CHARGED::residue_action(), core::pack::task::AROMATIC::residue_action(), core::pack::task::EX::residue_action(), core::pack::task::EX_CUTOFF::residue_action(), core::pack::task::USE_INPUT_SC::residue_action(), core::pack::task::AUTO::residue_action(), core::pack::task::SCAN::residue_action(), core::pack::task::TARGET::residue_action(), core::pack::task::NO_ADDUCTS::residue_action(), core::pack::task::FIX_HIS_TAUTOMER::residue_action(), protocols::motifs::LigandMotifSearch::run(), protocols::minimization_packing::EnergyCutRotamerTrialsMinMover::setup_energycut_task(), protocols::minimization_packing::EnergyCutRotamerTrialsMover::setup_energycut_task(), and protocols::simple_task_operations::RestrictToInterface::symmetric_task().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::ContinuousRotamerSets::ContinuousRotamerSets(), core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph(), core::pack::interaction_graph::make_linmem_ig(), core::pack::repackable_residues(), and core::pack::repackable_residues_dup().
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Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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Activates the DoubleLazyInteractionGraph, which computes rotamer pair energies at most once, and delays allocating memory to hold them until needed. Used for multistate design.
Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::SetIGTypeOperation::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::OptH::apply().
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pure virtual |
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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Activate a LazyInteractionGraph that computes rotamer pair energies at most once.
Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::SetIGTypeOperation::apply().
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Activate a LinearMemoryInteraction graph that uses 95% less memory in design runs and runs twice as fast. (Not faster for fixed-sequence repackings).
Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::SetIGTypeOperation::apply().
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pure virtual |
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::OptH::apply().
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Explicitly request the O( N^2 ) precomputed graph.
linmem_ig() is checked first and will override this setting
Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::SetIGTypeOperation::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::PreserveCBeta::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::dna::RestrictDesignToProteinDNAInterface::apply(), protocols::enzdes::DetectProteinLigandInterface::apply(), core::pack::rotamer_set::build_dna_rotamers(), core::pack::rotamer_set::build_moving_O_water_rotamers_dependent(), core::pack::rotamer_set::build_moving_O_water_rotamers_independent(), protocols::flexpack::rotamer_set::FlexbbRotamerSet::bump_check(), protocols::nmr::bump_check(), core::pack::rotamer_set::bump_check(), core::pack::rotamers::SingleResidueRotamerLibrary::bump_check(), core::pack::rotamer_set::RotamerSet_::bump_check(), core::pack::rotamer_set::RotamerSet_::compute_one_and_two_body_energies(), core::pack::rotamer_set::RotamerSet_::compute_one_body_energies(), core::pack::rotamer_set::symmetry::SymmetricRotamerSet_::compute_one_body_energies(), protocols::dna::design_residues_list(), protocols::hbnet::hbnet_symm_one_body_energies(), protocols::enzdes::EnzdesFlexBBProtocol::modified_task(), protocols::backrub::positions_incompatible_with_task(), core::pack::rotamer_set::pre_bump_check(), core::pack::repackable_residues(), core::pack::repackable_residues_dup(), protocols::rotamer_recovery::RRProtocolMover::run(), protocols::rotamer_recovery::RRProtocolReferenceStructure::run(), protocols::rotamer_recovery::RRProtocolMinPack::run(), protocols::rotamer_recovery::RRProtocolPackRotamers::run(), protocols::rotamer_recovery::RRProtocolRelax::run(), protocols::rotamer_recovery::RRProtocolRotamerTrials::run(), protocols::rotamer_recovery::RRProtocolRTMin::run(), and core::pack::symmetric_repackable_residues().
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Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::enzdes::DetectProteinLigandInterface::apply().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::toolbox::rotamer_set_operations::RigidBodyMoveBaseRSO::alter_rotamer_set(), core::pack::rotamer_set::UnboundRotamersOperation::alter_rotamer_set(), protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::alter_rotamer_set_from_db(), protocols::splice::SampleRotamersFromPDB_RotamerSetOperation::alter_rotamer_set_from_pdb(), protocols::task_operations::MutationSetDesignOperation::apply(), protocols::dna::RestrictDesignToProteinDNAInterface::apply(), protocols::enzdes::DetectProteinLigandInterface::apply(), protocols::flxbb::LayerDesignOperation::apply(), core::pack::scmin::AtomTreeCollection::AtomTreeCollection(), core::pack::rotamer_set::RotamerSet_::build_dependent_rotamers(), core::pack::rotamer_set::build_dna_rotamers(), core::pack::rotamer_set::RotamerSet_::build_optimize_H_rotamers(), core::pack::rotamer_set::build_rna_rotamers(), core::pack::rotamer_set::ContinuousRotamerSet::build_rotamers(), core::pack::rotamer_set::RotamerSet_::build_rotamers(), core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::create_rotamers_from_chisets(), protocols::calc_taskop_movers::ConsensusDesignMover::create_sequence_profile_constraints(), protocols::dna::design_residues_list(), protocols::denovo_design::task_operations::ConsensusLoopDesignOperation::disallow_aas(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::enumerate_chi_sets(), core::pack::dunbrack::cenrot::SingleResidueCenrotLibrary::fill_rotamer_vector(), core::pack::rotamers::SingleBasicRotamerLibrary::fill_rotamer_vector(), core::pack::rotamers::SingleLigandRotamerLibrary::fill_rotamer_vector(), protocols::enzdes::EnzdesFlexBBProtocol::modified_task(), protocols::backrub::positions_incompatible_with_task(), protocols::enzdes::enzutil::recreate_task(), core::pack::task::POLAR::residue_action(), core::pack::task::APOLAR::residue_action(), core::pack::task::CHARGED::residue_action(), core::pack::task::AROMATIC::residue_action(), core::pack::rotamer_set::RotamerSet_::set_extra_samples(), and core::pack::rotamers::SingleResidueRotamerLibrary::virtual_sidechain().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::symmetric_docking::SymRestrictTaskForDocking::apply(), core::pack::task::operation::RestrictToRepacking::apply(), protocols::minimization_packing::EnergyCutRotamerTrialsMinMover::setup_energycut_task(), and protocols::minimization_packing::EnergyCutRotamerTrialsMover::setup_energycut_task().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::RestrictByCalculatorsOperation::apply(), protocols::task_operations::RestrictToInterfaceOperation::apply(), protocols::task_operations::RestrictToInterfaceVectorOperation::apply(), protocols::task_operations::RestrictToNeighborhoodOperation::apply(), and protocols::task_operations::RestrictInterGroupVectorOperation::apply().
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pure virtual |
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Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::build_dna_rotamers().
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pure virtual |
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::KeepSequenceSymmetry::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::EnableSmartAnnealer::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::EnableSmartAnnealer::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::EnableSmartAnnealer::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::EnableSmartAnnealer::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::EnableSmartAnnealer::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by protocols::denovo_design::task_operations::ConsensusLoopDesignOperation::apply().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::annealer::SmartFixbbSimAnnealer::initialize_from_task().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::annealer::SmartFixbbSimAnnealer::initialize_from_task().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::annealer::SmartFixbbSimAnnealer::initialize_from_task().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::annealer::SmartFixbbSimAnnealer::initialize_from_task().
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
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pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::UnboundRotamersOperation::alter_rotamer_set(), core::pack::task::operation::FillAUTOTaskOperation::apply(), core::pack::task::operation::OperateOnCertainResidues::apply(), core::pack::task::operation::OperateOnResidueSubset::apply(), protocols::dna::RestrictDesignToProteinDNAInterface::apply(), core::pack::task::operation::RestrictAbsentCanonicalAAS::apply(), core::pack::task::operation::DisallowIfNonnative::apply(), core::pack::task::operation::ExtraRotamersGeneric::apply(), core::pack::task::operation::ReadResfileAndObeyLengthEvents::apply(), protocols::denovo_design::task_operations::ConsensusLoopDesignOperation::disallow_aas(), protocols::forge::methods::parse_resfile_string_with_no_lockdown(), protocols::backrub::positions_incompatible_with_task(), protocols::enzdes::enzutil::recreate_task(), core::pack::repackable_residues(), core::pack::repackable_residues_dup(), core::pack::task::operation::ReadResfileAndObeyLengthEvents::resfile_commands(), and core::pack::symmetric_repackable_residues().
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Implemented in core::pack::task::PackerTask_.
Referenced by protocols::task_operations::RetrieveStoredTaskOperation::apply().
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friend |
output operator