#include <MetalloClaimer.hh>

Inheritance diagram for protocols::topology_broker::MetalloClaimer:

Collaboration diagram for protocols::topology_broker::MetalloClaimer:

Public Member Functions
	MetalloClaimer ()

	~MetalloClaimer ()

virtual TopologyClaimerOP	clone () const
	clone it! More...

virtual void	generate_sequence_claims (DofClaims &dc)
	generate claims that affect the sequence of the pose More...

virtual void	initialize_residues (core::pose::Pose &, SequenceClaimOP init_claim, DofClaims &failed_to_init)
	mainly calls parent function... but is also used to figure out what residue number we are jumping to. More...

virtual void	generate_claims (protocols::topology_broker::DofClaims &dc)
	generate first round of DOF claims More...

virtual void	initialize_dofs (core::pose::Pose &pose, DofClaims const &init_claims, DofClaims &failed_to_init)
	is called after all round1 claims have been approved or retracted – additional claims can be issued in this round More...

virtual std::string	type () const
	type() is specifying the output name of the TopologyClaimer More...

virtual void	add_constraints (core::pose::Pose &) const
	add constraints to pose... might make this stage dependent as with movers... More...

Public Member Functions inherited from protocols::topology_broker::SequenceClaimer
	SequenceClaimer ()

	SequenceClaimer (std::string const &sequence, std::string const &rsd_type_set_identifier, std::string label)

core::Size	offset ()

void	set_sequence (std::string const &str)

Public Member Functions inherited from protocols::topology_broker::TopologyClaimer
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 void	read (std::istream &)
	read definition of Claimer from setup file, i.e., a CLAIMER <type> ... END_CLAIMER block More...

virtual void	finalize_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 (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 void	claim_accepted (DofClaimOP my_claim)
	this claim of yours was accepted.... I so far haven't done anything with this... might go away. 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...

std::string const &	label () const

void	set_label (std::string const &str)

virtual void	receive_message (ClaimerMessage &)

Public Member Functions inherited from protocols::topology_broker::JumpClaimer
	JumpClaimer ()

	JumpClaimer (jumping::BaseJumpSetupOP jump_def, std::string const &mover_tag="JumpMove", weights::AbinitioMoverWeightOP weight=NULL)

	JumpClaimer (JumpClaimer const &src)

	~JumpClaimer ()

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...

virtual void	new_decoy ()
	a new decoy — random choices to be made ? make them here More...

Public Member Functions inherited from protocols::topology_broker::FragmentClaimer
	FragmentClaimer ()

	FragmentClaimer (simple_moves::FragmentMoverOP, std::string mover_tag, weights::AbinitioMoverWeightOP weight)

	FragmentClaimer (simple_moves::FragmentMoverOP)

	FragmentClaimer (FragmentClaimer const &src)

	~FragmentClaimer ()

virtual bool	accept_declined_claim (DofClaim const &was_declined)
	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...

void	set_mover (simple_moves::FragmentMoverOP mover)

void	set_mover_tag (std::string const &str)

void	set_bInitDofs (bool set)

std::string const &	mover_tag () const

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...

void	get_sequence_region (std::set< core::Size > &start_region) const

Static Public Member Functions
static std::string	_static_type_name ()

Static Public Member Functions inherited from protocols::topology_broker::SequenceClaimer
static std::string	_static_type_name ()

Static Public Member Functions inherited from protocols::topology_broker::JumpClaimer
static std::string	_static_type_name ()

Static Public Member Functions inherited from protocols::topology_broker::FragmentClaimer
static std::string	_static_type_name ()

Protected Member Functions
virtual void	set_defaults ()

virtual bool	read_tag (std::string tag, std::istream &)

virtual void	init_after_reading ()

Protected Member Functions inherited from protocols::topology_broker::JumpClaimer
void	set_jump_def (jumping::BaseJumpSetupOP jump_def)

jumping::BaseJumpSetupOP	jump_def ()

void	set_keep_jumps_from_input_pose (bool setting)

void	init_jumps ()

Protected Member Functions inherited from protocols::topology_broker::FragmentClaimer
simple_moves::FragmentMover const &	mover () const

simple_moves::FragmentMoverOP	get_frag_mover_ptr ()

void	set_claim_right (DofClaim::ClaimRight setting)

Private Attributes
jumping::ResiduePairJumpSetupOP	jump_setup_

jumping::ResiduePairJumpOP	residue_pair_jump_

std::string	ligand_

core::Size	anchor_residue_

std::string	anchor_chain_

core::Size	resolved_anchor_residue_

Additional Inherited Members
Protected Attributes inherited from protocols::topology_broker::FragmentClaimer
core::kinematics::MoveMapOP	movemap_

Detailed Description

Definition at line 63 of file MetalloClaimer.hh.

Constructor & Destructor Documentation

protocols::topology_broker::MetalloClaimer::MetalloClaimer ( )

Definition at line 63 of file MetalloClaimer.cc.

Referenced by clone().

protocols::topology_broker::MetalloClaimer::~MetalloClaimer ( )

inline

Definition at line 66 of file MetalloClaimer.hh.

Member Function Documentation

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

inlinestatic

Definition at line 103 of file MetalloClaimer.hh.

Referenced by type().

void protocols::topology_broker::MetalloClaimer::add_constraints ( core::pose::Pose & ) const

virtual

add constraints to pose... might make this stage dependent as with movers...

Reimplemented from protocols::topology_broker::TopologyClaimer.

Definition at line 88 of file MetalloClaimer.cc.

virtual TopologyClaimerOP protocols::topology_broker::MetalloClaimer::clone ( ) const

inlinevirtual

clone it!

Reimplemented from protocols::topology_broker::JumpClaimer.

Definition at line 70 of file MetalloClaimer.hh.

References MetalloClaimer().

virtual void protocols::topology_broker::MetalloClaimer::generate_claims ( protocols::topology_broker::DofClaims & )

inlinevirtual

generate first round of DOF claims

Reimplemented from protocols::topology_broker::JumpClaimer.

Definition at line 82 of file MetalloClaimer.hh.

References protocols::topology_broker::SequenceClaimer::generate_claims(), and protocols::topology_broker::JumpClaimer::generate_claims().

virtual void protocols::topology_broker::MetalloClaimer::generate_sequence_claims ( DofClaims & )

inlinevirtual

generate claims that affect the sequence of the pose

Reimplemented from protocols::topology_broker::SequenceClaimer.

Definition at line 74 of file MetalloClaimer.hh.

References protocols::topology_broker::SequenceClaimer::generate_sequence_claims(), and protocols::topology_broker::TopologyClaimer::generate_sequence_claims().

void protocols::topology_broker::MetalloClaimer::init_after_reading ( )

protectedvirtual

Reimplemented from protocols::topology_broker::SequenceClaimer.

Definition at line 173 of file MetalloClaimer.cc.

References anchor_chain_, anchor_residue_, jump_setup_, ligand_, residue_pair_jump_, protocols::topology_broker::JumpClaimer::set_jump_def(), protocols::topology_broker::TopologyClaimer::set_label(), and protocols::topology_broker::SequenceClaimer::set_sequence().

virtual void protocols::topology_broker::MetalloClaimer::initialize_dofs	(	core::pose::Pose &	pose,
		DofClaims const &	init_claims,
		DofClaims &	failed_to_init
	)

inlinevirtual

is called after all round1 claims have been approved or retracted – additional claims can be issued in this round

Reimplemented from protocols::topology_broker::JumpClaimer.

Definition at line 90 of file MetalloClaimer.hh.

References protocols::topology_broker::SequenceClaimer::initialize_dofs(), and protocols::topology_broker::JumpClaimer::initialize_dofs().

void protocols::topology_broker::MetalloClaimer::initialize_residues	(	core::pose::Pose &	pose,
		SequenceClaimOP	init_claim,
		DofClaims &	failed_to_init
	)