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Rosetta Protocols
2014.35
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#include <SequenceClaimer.hh>
Public Member Functions | |
SequenceClaimer () | |
SequenceClaimer (std::string const &sequence, std::string const &label, std::string const &rsd_type_set_identifier) | |
virtual TopologyClaimerOP | clone () const |
clone it! More... | |
virtual void | generate_sequence_claims (claims::DofClaims &) |
generate claims that affect the sequence of the pose More... | |
virtual void | generate_claims (claims::DofClaims &) |
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round if this Sequence has been moved from position 1 — needs to issue a fixed CUT in the fold-tree More... | |
virtual std::string | type () const |
type() is specifying the output name of the TopologyClaimer More... | |
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virtual | ~TopologyClaimer () |
Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
TopologyClaimer () | |
TopologyClaimer (weights::AbinitioMoverWeightOP weight) | |
construct with weight-set ( how important is mover for different abinitio stages ? ) More... | |
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_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 | initialize_dofs (core::pose::Pose &, claims::DofClaims const &init_claims, claims::DofClaims &failed_to_init) |
initialize sequence ( for approved sequence claims given as init_claim ) Claimer searches init_claims for claims owned by *this 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... | |
virtual void | add_mover (moves::RandomMover &, core::pose::Pose const &, abinitio::StageID, core::scoring::ScoreFunction const &, core::Real) |
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::AbinitioMoverWeight & | mover_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 () |
Protected Member Functions | |
virtual bool | read_tag (std::string tag, std::istream &) |
virtual void | init_after_reading () |
void | make_sequence_claim () |
void | set_sequence (std::string const &str) |
void | set_priority (core::Real pr) |
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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 () |
Private Types | |
typedef TopologyClaimer | Parent |
Private Member Functions | |
void | read_fasta_file (std::string file) |
Private Attributes | |
std::string | rsd_type_set_ |
core::Real | priority_ |
std::string | input_sequence_ |
claims::SequenceClaimOP | sequence_claim_ |
protocols::topology_broker::SequenceClaimer::SequenceClaimer | ( | ) |
protocols::topology_broker::SequenceClaimer::SequenceClaimer | ( | std::string const & | sequence, |
std::string const & | label, | ||
std::string const & | rsd_type_set_identifier = core::chemical::CENTROID |
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inlinestatic |
Referenced by type().
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virtual |
clone it!
Implements protocols::topology_broker::TopologyClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
References SequenceClaimer().
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virtual |
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round if this Sequence has been moved from position 1 — needs to issue a fixed CUT in the fold-tree
Reimplemented from protocols::topology_broker::TopologyClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
References protocols::topology_broker::TopologyClaimer::label(), and sequence_claim_.
Referenced by protocols::topology_broker::MetalloClaimer::generate_claims().
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virtual |
generate claims that affect the sequence of the pose
Reimplemented from protocols::topology_broker::TopologyClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
References make_sequence_claim(), and sequence_claim_.
Referenced by protocols::topology_broker::MetalloClaimer::generate_sequence_claims().
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protectedvirtual |
Reimplemented from protocols::topology_broker::TopologyClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
References input_sequence_, protocols::topology_broker::TopologyClaimer::label(), and type().
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protected |
References core::pose::Pose::annotated_sequence(), input_sequence_, protocols::topology_broker::TopologyClaimer::label(), core::pose::make_pose_from_sequence(), priority_, residue_type_set, rsd_type_set_, runtime_assert, sequence_claim_, core::pose::Pose::total_residue(), and tr.
Referenced by generate_sequence_claims().
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private |
References input_sequence_, core::sequence::read_fasta_file(), and tr.
Referenced by read_tag().
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protectedvirtual |
Reimplemented from protocols::topology_broker::TopologyClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
References in::file::fasta, getline(), input_sequence_, option, priority_, read_fasta_file(), protocols::topology_broker::TopologyClaimer::read_tag(), and user.
Referenced by protocols::topology_broker::MetalloClaimer::read_tag().
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inlineprotected |
References priority_.
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inlineprotected |
References input_sequence_, sequence_claim_, and protocols::kinmatch::str().
Referenced by protocols::topology_broker::MetalloClaimer::init_after_reading().
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inlinevirtual |
type() is specifying the output name of the TopologyClaimer
Implements protocols::topology_broker::TopologyClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
References _static_type_name().
Referenced by init_after_reading().
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private |
Referenced by init_after_reading(), make_sequence_claim(), read_fasta_file(), read_tag(), and set_sequence().
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private |
Referenced by make_sequence_claim(), read_tag(), and set_priority().
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private |
Referenced by make_sequence_claim().
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private |
Referenced by generate_claims(), generate_sequence_claims(), make_sequence_claim(), and set_sequence().