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protocols::topology_broker::AsymFoldandDockClaimer Class Reference

#include <AsymFoldandDockClaimer.hh>

Inheritance diagram for protocols::topology_broker::AsymFoldandDockClaimer:
Inheritance graph
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Public Member Functions

 AsymFoldandDockClaimer ()
 
 AsymFoldandDockClaimer (core::pose::Pose const &input_pose)
 
TopologyClaimerOP clone () const override
 clone it! More...
 
std::string type () const override
 type() is specifying the output name of the TopologyClaimer More...
 
void add_mover (moves::RandomMover &random_mover, core::pose::Pose const &pose, abinitio::StageID stageID, core::scoring::ScoreFunction const &scorefxn, core::Real progress) override
 claimers can add movers to the RandomMover (Container). add your moves, make it dependent on stage if you want to. So far this is called only by abinitio... if you don't want to do anything special — don't overload this method! default: adds mover given by virtual call get_mover() with stage-dependent weight given by abinitio_mover_weight_ More...
 
bool read_tag (std::string tag, std::istream &is) override
 
void initialize_dofs (core::pose::Pose &, claims::DofClaims const &init_claims, claims::DofClaims &) override
 initialize sequence ( for approved sequence claims given as init_claim ) Claimer searches init_claims for claims owned by *this More...
 
void generate_claims (claims::DofClaims &new_claims) override
 generate first round of DOF claims More...
 
core::Size docking_jump (core::pose::Pose &pose, core::Size chain_break_res)
 
- Public Member Functions inherited from protocols::topology_broker::TopologyClaimer
 ~TopologyClaimer () override=default
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 TopologyClaimer ()
 
 TopologyClaimer (weights::AbinitioMoverWeightOP weight)
 construct with weight-set ( how important is mover for different abinitio stages ? ) More...
 
TopologyClaimerCOP get_self_ptr () const
 self pointers More...
 
TopologyClaimerOP get_self_ptr ()
 
TopologyClaimerCAP get_self_weak_ptr () const
 
TopologyClaimerAP get_self_weak_ptr ()
 
virtual bool claimer_builds_own_fold_tree ()
 
virtual
core::kinematics::FoldTreeOP 
get_fold_tree (core::pose::Pose &)
 in case a claimer has its own fold_tree. get_fold_tree() is called by the broker More...
 
virtual void build_fold_tree (core::pose::Pose &, core::kinematics::FoldTree &)
 
virtual void set_pose_from_broker (core::pose::Pose &)
 
virtual void read (std::istream &)
 read definition of Claimer from setup file, i.e., a CLAIMER <type> ... END_CLAIMER block More...
 
virtual void pre_process (core::pose::Pose &)
 
virtual void generate_sequence_claims (claims::DofClaims &)
 generate claims that affect the sequence of the pose More...
 
virtual void generate_symmetry_claims (claims::SymmetryClaims &)
 generate claims that affect the sequence of the pose More...
 
virtual void finalize_claims (claims::DofClaims &)
 is called after all round1 claims have been approved or retracted – additional claims can be issued in this round More...
 
virtual bool allow_claim (claims::DofClaim const &)
 allow a claim from a foreign Claimer More...
 
virtual void switch_to_fullatom (core::pose::Pose &, utility::vector1< bool >) const
 has this Claimer some side chain conformations to add? starts with bNeedToRepack true for all residues... if you have a sidechain —> copy it to pose and set needtoRepack false for this residue More...
 
virtual void manipulate_cut_bias (utility::vector1< core::Real > &)
 multiply your bias to this – if its zero don't change that, i.e., multiply only this is used during fold-tree generation to set the cut-points. it starts with 1.0 for all residues. Fragments can add their loop-fraction More...
 
virtual bool accept_declined_claim (claims::DofClaim const &)
 notification of declined claims: update your internal representation (e.g., movemap ) to remember this ! / return false – if you can't live without this claim being accepted. ( e.g., RigidChunks ... ) More...
 
virtual void claim_accepted (claims::DofClaimOP my_claim)
 this claim of yours was accepted.... I so far haven't done anything with this... might go away. More...
 
virtual void add_constraints (core::pose::Pose &) const
 add constraints to pose... might make this stage dependent as with movers... More...
 
virtual core::fragment::FragSetCOP loop_frags (core::kinematics::MoveMap &) const
 return fragments that can be used for loop-sampling... unfortunately some loop-samplers need fragments, rather then fragmovers (e.g. short-loop closure since it remaps them on a short pose containing only the loop-residues. ) overloaded e.g., by LoopFragmentClaimer.. returns a movemap and fragset good for loop-sampling More...
 
virtual bool passes_filter (core::pose::Pose const &, abinitio::StageID, core::Real, std::ostringstream &)
 claimers can add movers to the RandomMover (Container). add your moves, make it dependent on stage if you want to. So far this is called only by abinitio... if you don't want to do anything special — don't overload this method! default: adds mover given by virtual call get_mover() with stage-dependent weight given by abinitio_mover_weight_ More...
 
void set_mover_weight (weights::AbinitioMoverWeightOP wset)
 
weights::AbinitioMoverWeightmover_weight ()
 
void read_mover_weight (std::istream &is)
 read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage More...
 
virtual void adjust_relax_movemap (core::kinematics::MoveMap &) const
 
void set_broker (TopologyBrokerCAP ptr)
 don't use this — it is called by TopologyBroker add_claim only More...
 
TopologyBroker const & broker () const
 return the broker we are collaborating with More...
 
virtual void new_decoy ()
 a new decoy — random choices to be made ? make them here More...
 
virtual void new_decoy (core::pose::Pose const &)
 an input pose is given, i.e., a starting structure for resampling don't make random choices, base choices on given pose More...
 
std::string const & label () const
 
void set_label (std::string const &str)
 
virtual void receive_message (ClaimerMessage &)
 
virtual core::pose::PoseOP get_pose_from_claimer ()
 

Static Public Member Functions

static std::string _static_type_name ()
 

Private Types

typedef TopologyClaimer Parent
 

Private Attributes

core::pose::Pose input_pose_
 starting pose More...
 
protocols::loops::Loops moving_res_
 
core::Size chain_break_res_
 
core::Size docking_jump_
 
bool docking_local_refine_
 

Additional Inherited Members

- Protected Member Functions inherited from protocols::topology_broker::TopologyClaimer
virtual moves::MoverOP get_mover (core::pose::Pose const &) const
 what is your mover ... called by add_mover — overload this or add_mover if you have movers too supply More...
 
virtual void set_defaults ()
 
virtual void init_after_reading ()
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::topology_broker::AsymFoldandDockClaimer::AsymFoldandDockClaimer ( )
default
protocols::topology_broker::AsymFoldandDockClaimer::AsymFoldandDockClaimer ( core::pose::Pose const &  input_pose)

Member Function Documentation

std::string protocols::topology_broker::AsymFoldandDockClaimer::_static_type_name ( )
static

Referenced by type().

void protocols::topology_broker::AsymFoldandDockClaimer::add_mover ( moves::RandomMover random_mover,
core::pose::Pose const &  pose,
abinitio::StageID  stageID,
core::scoring::ScoreFunction const &  ,
core::Real  progress 
)
overridevirtual

claimers can add movers to the RandomMover (Container). add your moves, make it dependent on stage if you want to. So far this is called only by abinitio... if you don't want to do anything special — don't overload this method! default: adds mover given by virtual call get_mover() with stage-dependent weight given by abinitio_mover_weight_

Reimplemented from protocols::topology_broker::TopologyClaimer.

References protocols::moves::MoverContainer::add_mover(), chain_break_res_, docking_jump_, core::scoring::ScoreFunction::get_self_ptr(), and protocols::abinitio::STAGE_4.

TopologyClaimerOP protocols::topology_broker::AsymFoldandDockClaimer::clone ( ) const
overridevirtual
core::Size protocols::topology_broker::AsymFoldandDockClaimer::docking_jump ( core::pose::Pose pose,
core::Size  chain_break_res 
)
void protocols::topology_broker::AsymFoldandDockClaimer::generate_claims ( claims::DofClaims )
overridevirtual
void protocols::topology_broker::AsymFoldandDockClaimer::initialize_dofs ( core::pose::Pose ,
claims::DofClaims const &  init_claims,
claims::DofClaims failed_to_init 
)
overridevirtual

initialize sequence ( for approved sequence claims given as init_claim ) Claimer searches init_claims for claims owned by *this

initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this

Reimplemented from protocols::topology_broker::TopologyClaimer.

References protocols::docking::DockingInitialPerturbation::apply(), chain_break_res_, protocols::loops::chainID, core::kinematics::FoldTree::clear(), docking_jump(), docking_jump_, docking_local_refine_, core::pose::Pose::fold_tree(), moving_res_, core::kinematics::FoldTree::num_jump(), core::pose::Pose::pdb_info(), protocols::docking::setup_foldtree(), protocols::loops::Loops::size(), and core::pose::Pose::size().

bool protocols::topology_broker::AsymFoldandDockClaimer::read_tag ( std::string  tag,
std::istream &  is 
)
overridevirtual
std::string protocols::topology_broker::AsymFoldandDockClaimer::type ( ) const
overridevirtual

type() is specifying the output name of the TopologyClaimer

Implements protocols::topology_broker::TopologyClaimer.

References _static_type_name().

Member Data Documentation

core::Size protocols::topology_broker::AsymFoldandDockClaimer::chain_break_res_
private
core::Size protocols::topology_broker::AsymFoldandDockClaimer::docking_jump_
private

Referenced by add_mover(), and initialize_dofs().

bool protocols::topology_broker::AsymFoldandDockClaimer::docking_local_refine_
private
core::pose::Pose protocols::topology_broker::AsymFoldandDockClaimer::input_pose_
private

starting pose

Referenced by generate_claims().

protocols::loops::Loops protocols::topology_broker::AsymFoldandDockClaimer::moving_res_
private

Referenced by initialize_dofs(), and read_tag().


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