anchored_design¶
Bindings for protocols::anchored_design namespace
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class
pyrosetta.rosetta.protocols.anchored_design.
Anchor
¶ Bases:
pybind11_builtins.pybind11_object
Anchor class provides for the “anchor” part of a scaffold in anchored interface design
Anchor class implements the code to read in an anchor file, stores the definition of the anchor, and provides access methods for setting move maps. It reads in PDB-keyed information, but converts it to pose resid information and internally stores only the latter.
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__delattr__
¶ Implement delattr(self, name).
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__dir__
() → list¶ default dir() implementation
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__eq__
¶ Return self==value.
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__format__
()¶ default object formatter
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__ge__
¶ Return self>=value.
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__getattribute__
¶ Return getattr(self, name).
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__gt__
¶ Return self>value.
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__hash__
¶ Return hash(self).
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__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.Anchor) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, start: int, end: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, pose: pyrosetta.rosetta.core.pose.Pose, filename: str) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, pose: pyrosetta.rosetta.core.pose.Pose) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, arg0: pyrosetta.rosetta.protocols.anchored_design.Anchor) -> None
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
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__le__
¶ Return self<=value.
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__lt__
¶ Return self<value.
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__ne__
¶ Return self!=value.
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__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
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__reduce_ex__
()¶ helper for pickle
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__repr__
¶ Return repr(self).
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__setattr__
¶ Implement setattr(self, name, value).
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__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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assign
(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, rhs: pyrosetta.rosetta.protocols.anchored_design.Anchor) → pyrosetta.rosetta.protocols.anchored_design.Anchor¶ assignment operator
C++: protocols::anchored_design::Anchor::operator=(const class protocols::anchored_design::Anchor &) –> class protocols::anchored_design::Anchor &
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end
(self: pyrosetta.rosetta.protocols.anchored_design.Anchor) → int¶ returns end of anchor (as pose resid)
C++: protocols::anchored_design::Anchor::end() const –> unsigned long
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get_filename
(self: pyrosetta.rosetta.protocols.anchored_design.Anchor) → str¶ getter for filename for anchorfile
C++: protocols::anchored_design::Anchor::get_filename() const –> const std::string &
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read_anchorfile
(*args, **kwargs)¶ Overloaded function.
- read_anchorfile(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, pose: pyrosetta.rosetta.core.pose.Pose, filename: str) -> None
method to read an anchor file. Pose is necessary to reference against
C++: protocols::anchored_design::Anchor::read_anchorfile(const class core::pose::Pose &, const class std::basic_string<char> &) –> void
- read_anchorfile(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, pose: pyrosetta.rosetta.core.pose.Pose) -> None
method to read an anchor file. Pose is necessary to reference against. Checks internal data for filename.
C++: protocols::anchored_design::Anchor::read_anchorfile(const class core::pose::Pose &) –> void
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read_options
(self: pyrosetta.rosetta.protocols.anchored_design.Anchor) → None¶ read option system into internal data
C++: protocols::anchored_design::Anchor::read_options() –> void
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set_filename
(self: pyrosetta.rosetta.protocols.anchored_design.Anchor, filename: str) → None¶ setter for filename for anchorfile
C++: protocols::anchored_design::Anchor::set_filename(const class std::basic_string<char> &) –> void
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start
(self: pyrosetta.rosetta.protocols.anchored_design.Anchor) → int¶ returns start of anchor (as pose resid)
C++: protocols::anchored_design::Anchor::start() const –> unsigned long
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class
pyrosetta.rosetta.protocols.anchored_design.
AnchorMoversData
¶ Bases:
pybind11_builtins.pybind11_object
This data class wraps all the data needed for the AnchoredDesign movers.
This data class keeps the anchor, mobile loops, and movemaps associated with the loops all together.It generates its own movemaps.
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__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
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__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, arg0: pyrosetta.rosetta.protocols.anchored_design.Anchor, arg1: pyrosetta.rosetta.protocols.loops.Loops) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, anchor: pyrosetta.rosetta.protocols.anchored_design.Anchor, loops: pyrosetta.rosetta.protocols.loops.Loops, options: bool) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, pose: pyrosetta.rosetta.core.pose.Pose) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, arg0: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) -> None
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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anchor_end
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → int¶ access for anchor end
C++: protocols::anchored_design::AnchorMoversData::anchor_end() const –> unsigned long
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anchor_noise_constraints_setup
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ set up constraints for anchor_noise_constraints_mode
C++: protocols::anchored_design::AnchorMoversData::anchor_noise_constraints_setup(class core::pose::Pose &) –> void
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anchor_start
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → int¶ //////////////////////////anchor functions//////////////////////////////////////////////
access for anchor startC++: protocols::anchored_design::AnchorMoversData::anchor_start() const –> unsigned long
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anchored_loop
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.protocols.loops.Loop¶ //////////////loops and movemap functions//////////////////////////////////////////////
access anchored loopC++: protocols::anchored_design::AnchorMoversData::anchored_loop() const –> const class protocols::loops::Loop &
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assign
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, rhs: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData¶ assignment operator
C++: protocols::anchored_design::AnchorMoversData::operator=(const class protocols::anchored_design::AnchorMoversData &) –> class protocols::anchored_design::AnchorMoversData &
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autogenerate_constseq_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, seq: str) → pyrosetta.rosetta.core.fragment.FragSet¶ brew its own sequence-specific frags
C++: protocols::anchored_design::AnchorMoversData::autogenerate_constseq_frags(const class std::basic_string<char> &) –> class std::shared_ptr<const class core::fragment::FragSet>
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autogenerate_design_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.fragment.FragSet¶ brew its own design frags (LLLLL secondary structure)
C++: protocols::anchored_design::AnchorMoversData::autogenerate_design_frags() –> class std::shared_ptr<const class core::fragment::FragSet>
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autogenerate_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ figure out what type of fragments to use, and use them; pose needed to make packertask to detect if design is occuring
C++: protocols::anchored_design::AnchorMoversData::autogenerate_frags(const class core::pose::Pose &) –> void
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clone
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData¶ C++: protocols::anchored_design::AnchorMoversData::clone() const –> class std::shared_ptr<class protocols::anchored_design::AnchorMoversData>
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get_VDW_weight
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → float¶ VDW weight in centroid scorefunction
C++: protocols::anchored_design::AnchorMoversData::get_VDW_weight() const –> double
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get_akash_dyepos
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → int¶ dye position used in dye modeling publication
C++: protocols::anchored_design::AnchorMoversData::get_akash_dyepos() const –> unsigned long
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get_allow_anchor_repack
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → bool¶ allow anchor to repack
C++: protocols::anchored_design::AnchorMoversData::get_allow_anchor_repack() const –> bool
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get_anchor_noise_constraints_mode
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → bool¶ special anchor_noise_constraints_mode
C++: protocols::anchored_design::AnchorMoversData::get_anchor_noise_constraints_mode() const –> bool
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get_anchor_via_constraints
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → bool¶ used to test anchoring via constraints
C++: protocols::anchored_design::AnchorMoversData::get_anchor_via_constraints() const –> bool
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get_centroid_scorefunction
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ access centroid scorefunction
C++: protocols::anchored_design::AnchorMoversData::get_centroid_scorefunction() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
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get_centroid_scorefunction_min
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ access centroid scorefunction for minimization
C++: protocols::anchored_design::AnchorMoversData::get_centroid_scorefunction_min() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
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get_chainbreak_weight
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → float¶ chainbreak weight in fullatom scorefunction
C++: protocols::anchored_design::AnchorMoversData::get_chainbreak_weight() const –> double
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get_frag3
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → str¶ copy of cmdline option frag3
C++: protocols::anchored_design::AnchorMoversData::get_frag3() const –> const std::string &
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get_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.fragment.FragSet¶ /////////////////////scfxn, packertask, fragments accessors//////////////////////////////
access fragments objectC++: protocols::anchored_design::AnchorMoversData::get_frags() const –> class std::shared_ptr<const class core::fragment::FragSet>
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get_fullatom_scorefunction
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.scoring.ScoreFunction¶ access fullatom scorefunction
C++: protocols::anchored_design::AnchorMoversData::get_fullatom_scorefunction() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
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get_late_factory
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.pack.task.TaskFactory¶ access packertask factory
C++: protocols::anchored_design::AnchorMoversData::get_late_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
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get_loop_file
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → str¶ copy of cmdline option loop_file
C++: protocols::anchored_design::AnchorMoversData::get_loop_file() const –> const std::string &
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get_no_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → bool¶ do not use fragments?
C++: protocols::anchored_design::AnchorMoversData::get_no_frags() const –> bool
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get_resfile_1
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → str¶ resfile for design
C++: protocols::anchored_design::AnchorMoversData::get_resfile_1() const –> const std::string &
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get_resfile_2
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → str¶ later-stage resfile if desired
C++: protocols::anchored_design::AnchorMoversData::get_resfile_2() const –> const std::string &
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get_super_secret_fixed_interface_mode
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → bool¶ special super_secret_fixed_interface_mode
C++: protocols::anchored_design::AnchorMoversData::get_super_secret_fixed_interface_mode() const –> bool
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get_task
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.core.pack.task.PackerTask¶ return packertask from factory
C++: protocols::anchored_design::AnchorMoversData::get_task(const class core::pose::Pose &) const –> class std::shared_ptr<class core::pack::task::PackerTask>
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get_task_factory
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.pack.task.TaskFactory¶ access packertask factory
C++: protocols::anchored_design::AnchorMoversData::get_task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
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get_unbound_mode
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → bool¶ used for unbound mode
C++: protocols::anchored_design::AnchorMoversData::get_unbound_mode() const –> bool
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interface_calc
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → str¶ get string name for interface_calc_
C++: protocols::anchored_design::AnchorMoversData::interface_calc() const –> const std::string &
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loop
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, i: int) → pyrosetta.rosetta.protocols.loops.Loop¶ accessor for a loop
C++: protocols::anchored_design::AnchorMoversData::loop(unsigned long) const –> const class protocols::loops::Loop &
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loops
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.protocols.loops.Loops¶ accessor for loops object
C++: protocols::anchored_design::AnchorMoversData::loops() const –> const class protocols::loops::Loops &
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movemap_cen
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, i: int) → pyrosetta.rosetta.core.kinematics.MoveMap¶ accessor for omega-variable movemap (most movers); centroid phase (no anchor movement)
C++: protocols::anchored_design::AnchorMoversData::movemap_cen(unsigned long) const –> class std::shared_ptr<class core::kinematics::MoveMap>
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movemap_cen_all
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.kinematics.MoveMap¶ access for movemap that covers all loops; centroid
C++: protocols::anchored_design::AnchorMoversData::movemap_cen_all() const –> class std::shared_ptr<class core::kinematics::MoveMap>
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movemap_cen_omegafixed
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, i: int) → pyrosetta.rosetta.core.kinematics.MoveMap¶ accessor for omega-fixed movemap (appropriate for CCD movers); centroid phase
C++: protocols::anchored_design::AnchorMoversData::movemap_cen_omegafixed(unsigned long) const –> class std::shared_ptr<class core::kinematics::MoveMap>
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movemap_fa
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, i: int) → pyrosetta.rosetta.core.kinematics.MoveMap¶ accessor for omega-variable movemap (most movers); fullatom phase (may allow anchor movement w/constraints)
C++: protocols::anchored_design::AnchorMoversData::movemap_fa(unsigned long) const –> class std::shared_ptr<class core::kinematics::MoveMap>
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movemap_fa_all
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → pyrosetta.rosetta.core.kinematics.MoveMap¶ access for movemap that covers all loops; fullatom
C++: protocols::anchored_design::AnchorMoversData::movemap_fa_all() const –> class std::shared_ptr<class core::kinematics::MoveMap>
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movemap_fa_omegafixed
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, i: int) → pyrosetta.rosetta.core.kinematics.MoveMap¶ accessor for omega-fixed movemap (appropriate for CCD movers); fullatom phase (may allow anchor movement w/constraints)
C++: protocols::anchored_design::AnchorMoversData::movemap_fa_omegafixed(unsigned long) const –> class std::shared_ptr<class core::kinematics::MoveMap>
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neighborhood_calc
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → str¶ get string name for neighborhood_calc_
C++: protocols::anchored_design::AnchorMoversData::neighborhood_calc() const –> const std::string &
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num_loops
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → int¶ number of loops/mms
C++: protocols::anchored_design::AnchorMoversData::num_loops() const –> unsigned long
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pick_new_cutpoints
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, reset_always: bool) → None¶ randomly reset loop cutpoints. Useful only when starting structure is well-closed. Best for MPI-style runs
C++: protocols::anchored_design::AnchorMoversData::pick_new_cutpoints(bool) –> void
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read_options
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData) → None¶ read options from the option system
C++: protocols::anchored_design::AnchorMoversData::read_options() –> void
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set_VDW_weight
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, VDW_weight: float) → None¶ VDW weight in centroid scorefunction
C++: protocols::anchored_design::AnchorMoversData::set_VDW_weight(double) –> void
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set_akash_dyepos
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, akash_dyepos: int) → None¶ /////////////option system replacement/////////////////////////////
dye position used in dye modeling publicationC++: protocols::anchored_design::AnchorMoversData::set_akash_dyepos(const unsigned long) –> void
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set_allow_anchor_repack
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, allow_anchor_repack: bool) → None¶ allow anchor to repack
C++: protocols::anchored_design::AnchorMoversData::set_allow_anchor_repack(bool) –> void
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set_anchor_noise_constraints_mode
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, anchor_noise_constraints_mode: bool) → None¶ special anchor_noise_constraints_mode
C++: protocols::anchored_design::AnchorMoversData::set_anchor_noise_constraints_mode(bool) –> void
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set_anchor_via_constraints
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, anchor_via_constraints: bool) → None¶ used to test anchoring via constraints
C++: protocols::anchored_design::AnchorMoversData::set_anchor_via_constraints(bool) –> void
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set_centroid_scorefunction
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, : pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ set centroid scorefunction
C++: protocols::anchored_design::AnchorMoversData::set_centroid_scorefunction(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
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set_chainbreak_weight
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, chainbreak_weight: float) → None¶ chainbreak weight in fullatom scorefunction
C++: protocols::anchored_design::AnchorMoversData::set_chainbreak_weight(double) –> void
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set_frag3
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, frag3: str) → None¶ copy of cmdline option frag3
C++: protocols::anchored_design::AnchorMoversData::set_frag3(const class std::basic_string<char> &) –> void
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set_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, : pyrosetta.rosetta.core.fragment.FragSet) → None¶ ////////////////set functions/////////////////////////////////////////////////////////
set fragments objectC++: protocols::anchored_design::AnchorMoversData::set_frags(class std::shared_ptr<class core::fragment::FragSet>) –> void
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set_fullatom_scorefunction
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, : pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ set fullatom scorefunction
C++: protocols::anchored_design::AnchorMoversData::set_fullatom_scorefunction(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
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set_loops_and_anchor
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, anchor: pyrosetta.rosetta.protocols.anchored_design.Anchor, loops: pyrosetta.rosetta.protocols.loops.Loops) → None¶ set up kinematics’ loops and anchors
C++: protocols::anchored_design::AnchorMoversData::set_loops_and_anchor(class std::shared_ptr<const class protocols::anchored_design::Anchor>, class protocols::loops::Loops) –> void
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set_no_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, no_frags: bool) → None¶ do not use fragments?
C++: protocols::anchored_design::AnchorMoversData::set_no_frags(bool) –> void
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set_resfile_1
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, resfile_1: str) → None¶ resfile for design
C++: protocols::anchored_design::AnchorMoversData::set_resfile_1(const class std::basic_string<char> &) –> void
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set_resfile_2
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, resfile_2: str) → None¶ later-stage resfile if desired
C++: protocols::anchored_design::AnchorMoversData::set_resfile_2(const class std::basic_string<char> &) –> void
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set_super_secret_fixed_interface_mode
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, super_secret_fixed_interface_mode: bool) → None¶ special super_secret_fixed_interface_mode
C++: protocols::anchored_design::AnchorMoversData::set_super_secret_fixed_interface_mode(bool) –> void
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set_task_factory
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, : pyrosetta.rosetta.core.pack.task.TaskFactory) → None¶ set packertask factory
C++: protocols::anchored_design::AnchorMoversData::set_task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void
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set_unbound_mode
(self: pyrosetta.rosetta.protocols.anchored_design.AnchorMoversData, unbound_mode: bool) → None¶ used for unbound mode
C++: protocols::anchored_design::AnchorMoversData::set_unbound_mode(bool) –> void
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class
pyrosetta.rosetta.protocols.anchored_design.
AnchoredPerturbMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
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__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
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__gt__
¶ Return self>value.
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__hash__
¶ Return hash(self).
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__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, interface_in: protocols::anchored_design::AnchorMoversData) -> None
- __init__(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, arg0: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) -> None
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
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__le__
¶ Return self<=value.
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__lt__
¶ Return self<value.
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__ne__
¶ Return self!=value.
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__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
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__reduce_ex__
()¶ helper for pickle
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__repr__
¶ Return repr(self).
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__setattr__
¶ Implement setattr(self, name, value).
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__sizeof__
() → int¶ size of object in memory, in bytes
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__str__
¶ Return str(self).
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__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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apply
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::anchored_design::AnchoredPerturbMover::apply(class core::pose::Pose &) –> void
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assign
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, : pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover¶ C++: protocols::anchored_design::AnchoredPerturbMover::operator=(const class protocols::anchored_design::AnchoredPerturbMover &) –> class protocols::anchored_design::AnchoredPerturbMover &
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clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling applyC++: protocols::moves::Mover::clear_info() –> void
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clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
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create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
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fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
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get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
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get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
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get_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ - A tag is a unique identifier used to identify structures produced
- by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
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get_debug
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → bool¶ debugging mode activates a bunch of extra output
C++: protocols::anchored_design::AnchoredPerturbMover::get_debug() const –> bool
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get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶ returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
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get_min_type
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → str¶ what minimizer type to use?
C++: protocols::anchored_design::AnchoredPerturbMover::get_min_type() const –> const std::string &
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get_name
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → str¶ C++: protocols::anchored_design::AnchoredPerturbMover::get_name() const –> std::string
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get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_no_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → bool¶ do not use fragments?
C++: protocols::anchored_design::AnchoredPerturbMover::get_no_frags() const –> bool
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get_nonpivot_torsion_sampling
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → bool¶ use nonpivot torsion sampling for KIC?
C++: protocols::anchored_design::AnchoredPerturbMover::get_nonpivot_torsion_sampling() const –> bool
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get_perturb_CCD_off
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → bool¶ do not perform CCD style closure (use KIC only)
C++: protocols::anchored_design::AnchoredPerturbMover::get_perturb_CCD_off() const –> bool
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get_perturb_KIC_off
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → bool¶ do not perform KIC style closure (use CCD only)
C++: protocols::anchored_design::AnchoredPerturbMover::get_perturb_KIC_off() const –> bool
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get_perturb_cycles
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → int¶ number of MC cycles
C++: protocols::anchored_design::AnchoredPerturbMover::get_perturb_cycles() const –> unsigned long
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get_perturb_show
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → bool¶ show perturb result structure?
C++: protocols::anchored_design::AnchoredPerturbMover::get_perturb_show() const –> bool
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get_perturb_temp
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → float¶ MC temperature
C++: protocols::anchored_design::AnchoredPerturbMover::get_perturb_temp() const –> double
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get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
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get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
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get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
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info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
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last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
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name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
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read_options
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover) → None¶ read in options from the options system
C++: protocols::anchored_design::AnchoredPerturbMover::read_options() –> void
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register_options
() → None¶ Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.C++: protocols::moves::Mover::register_options() –> void
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reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
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reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
- pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
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reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
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set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
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set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
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set_debug
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, debug: bool) → None¶ debugging mode activates a bunch of extra output
C++: protocols::anchored_design::AnchoredPerturbMover::set_debug(const bool) –> void
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set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
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set_min_type
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, min_type: str) → None¶ what minimizer type to use?
C++: protocols::anchored_design::AnchoredPerturbMover::set_min_type(const class std::basic_string<char> &) –> void
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set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
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set_no_frags
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, no_frags: bool) → None¶ do not use fragments?
C++: protocols::anchored_design::AnchoredPerturbMover::set_no_frags(const bool) –> void
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set_nonpivot_torsion_sampling
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, nonpivot_torsion_sampling: bool) → None¶ use nonpivot torsion sampling for KIC?
C++: protocols::anchored_design::AnchoredPerturbMover::set_nonpivot_torsion_sampling(const bool) –> void
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set_perturb_CCD_off
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, perturb_CCD_off: bool) → None¶ do not perform CCD style closure (use KIC only)
C++: protocols::anchored_design::AnchoredPerturbMover::set_perturb_CCD_off(const bool) –> void
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set_perturb_KIC_off
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, perturb_KIC_off: bool) → None¶ do not perform KIC style closure (use CCD only)
C++: protocols::anchored_design::AnchoredPerturbMover::set_perturb_KIC_off(const bool) –> void
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set_perturb_cycles
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, perturb_cycles: int) → None¶ number of MC cycles
C++: protocols::anchored_design::AnchoredPerturbMover::set_perturb_cycles(const unsigned long) –> void
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set_perturb_show
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, perturb_show: bool) → None¶ show perturb result structure?
C++: protocols::anchored_design::AnchoredPerturbMover::set_perturb_show(const bool) –> void
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set_perturb_temp
(self: pyrosetta.rosetta.protocols.anchored_design.AnchoredPerturbMover, perturb_temp: float) → None¶ MC temperature
C++: protocols::anchored_design::AnchoredPerturbMover::set_perturb_temp(const double) –> void
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set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
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show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
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test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
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type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-