carbohydrates¶
Bindings for protocols::carbohydrates namespace
-
class
pyrosetta.rosetta.protocols.carbohydrates.
GlycanRelaxMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
Main mover for Glycan Relax, which optimizes glycans in a pose. Each round optimizes either one residue for BB sampling, linkage, or multiple for minimization. Currently uses a random sampler with a set of weights to each mover for sampling.
- Weights are currently as follows:
.40 Phi/Psi Sugar BB Sampling .20 Linkage Conformer Sampling .30 Small BB Sampling - equal weight to phi, psi, or omega
-> .17 +/- 15 degrees -> .086 +/- 45 degrees -> .044 +/- 90 degrees.05 MinMover .05 PackRotamersMover
Supports Symmetry
-
__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).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, arg0: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, arg1: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, rounds: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, arg0: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) -> None
-
__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__
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) → str¶
-
__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).
-
apply
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::carbohydrates::GlycanRelaxMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, : pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) → pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover¶ C++: protocols::carbohydrates::GlycanRelaxMover::operator=(const class protocols::carbohydrates::GlycanRelaxMover &) –> class protocols::carbohydrates::GlycanRelaxMover &
-
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
-
clone
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::GlycanRelaxMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::GlycanRelaxMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
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>
-
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
-
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>
-
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_name
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) → str¶ C++: protocols::carbohydrates::GlycanRelaxMover::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_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
-
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
-
mover_name
() → str¶ C++: protocols::carbohydrates::GlycanRelaxMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
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provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::carbohydrates::GlycanRelaxMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
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randomize_glycan_torsions
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, pose: pyrosetta.rosetta.core.pose.Pose, subset: pyrosetta.rosetta.utility.vector1_bool) → None¶ Randomize all torsions of the subset. Used to start the protocol.
C++: protocols::carbohydrates::GlycanRelaxMover::randomize_glycan_torsions(class core::pose::Pose &, const class utility::vector1<bool, class std::allocator<bool> > &) const –> void
-
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.carbohydrates.GlycanRelaxMover) → bool¶ C++: protocols::carbohydrates::GlycanRelaxMover::reinitialize_for_each_job() const –> bool
-
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
-
set_conformer_sampling_sd
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, conformer_sampling_sd: float) → None¶ Number of SDs to sample within during conformer sampling. Default is 2.0 SDs
Sample within X standard_deviations of the means when building [non-idealized] conformersC++: protocols::carbohydrates::GlycanRelaxMover::set_conformer_sampling_sd(double) –> 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_defaults
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) → None¶ C++: protocols::carbohydrates::GlycanRelaxMover::set_defaults() –> void
-
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_kt
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, kt: float) → None¶ C++: protocols::carbohydrates::GlycanRelaxMover::set_kt(double) –> void
-
set_min_rings
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, min_rings: bool) → None¶ set to minimize ring torsions during minimzation. Default false.
C++: protocols::carbohydrates::GlycanRelaxMover::set_min_rings(bool) –> 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
-
set_population_based_conformer_sampling
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, pop_based_sampling: bool) → None¶ Set how our Conformer mover samples. Default is to do uniform sampling on the conformers instead of using the population as probabilities.
C++: protocols::carbohydrates::GlycanRelaxMover::set_population_based_conformer_sampling(bool) –> void
-
set_refine
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, refine: bool) → None¶ Set refinement mode instead of denovo modeling mode.
C++: protocols::carbohydrates::GlycanRelaxMover::set_refine(bool) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set the Movemap
C++: protocols::carbohydrates::GlycanRelaxMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_rounds
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, rounds: int) → None¶ - Each round applys a random mover to pose.
- This setting is multiplied by the number of glycan residues in the movemap for the total number of rounds
C++: protocols::carbohydrates::GlycanRelaxMover::set_rounds(unsigned long) –> void
-
set_scorefunction
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ Set the ScoreFunction
C++: protocols::carbohydrates::GlycanRelaxMover::set_scorefunction(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_selector
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set a ResidueSelector for glycan residue selection, instead of the typical movemap.
C++: protocols::carbohydrates::GlycanRelaxMover::set_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
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set_taskfactory
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) → None¶ Set the TaskFactory to control side-chain packing of surrounding amino acids and the OH groups of the glycans.
C++: protocols::carbohydrates::GlycanRelaxMover::set_taskfactory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> 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
-
set_uniform_sd_sampling
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, uniform_sd_sampling: bool) → None¶ - Set whether if we are sampling uniform within the set number of standard deviations or by uniform within the SD.
- Default True
C++: protocols::carbohydrates::GlycanRelaxMover::set_uniform_sd_sampling(bool) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover) -> None
- show(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::carbohydrates::GlycanRelaxMover::show(class std::basic_ostream<char> &) const –> void
-
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
-
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
-
use_cartmin
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanRelaxMover, use_cartmin: bool) → None¶ - Use Cartesian minimization instead of Dihedral minimization.
- Default (for now) is dihedral.
C++: protocols::carbohydrates::GlycanRelaxMover::use_cartmin(bool) –> void
-
class
pyrosetta.rosetta.protocols.carbohydrates.
GlycanTreeMinMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A class that selects the downstream branch from residues in a movemap/selector, and minimizes those residues if on in the primary glycan movemap. Multiple Applies randomly select a different residue in the movemap/selector
Supports Symmetry
-
__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).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, arg0: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, arg0: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, arg1: bool) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, arg0: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, arg1: bool, arg2: bool) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, min_rings: bool, min_bb: bool, min_chi: bool) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, arg0: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover) -> None
-
__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).
-
apply
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply the mover
C++: protocols::carbohydrates::GlycanTreeMinMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, : pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover) → pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover¶ C++: protocols::carbohydrates::GlycanTreeMinMover::operator=(const class protocols::carbohydrates::GlycanTreeMinMover &) –> class protocols::carbohydrates::GlycanTreeMinMover &
-
class_name
() → str¶ Show the contents of the Mover
C++: protocols::carbohydrates::GlycanTreeMinMover::class_name() –> std::string
-
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
-
clone
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::GlycanTreeMinMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::GlycanTreeMinMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
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>
-
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
-
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>
-
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
-
get_name
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover) → str¶ Get the name of the Mover
C++: protocols::carbohydrates::GlycanTreeMinMover::get_name() const –> std::string
-
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>
-
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>
-
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>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
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 > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::carbohydrates::GlycanTreeMinMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
set_min_bb
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, min_bb: bool) → None¶ Minimize BB? Default True
C++: protocols::carbohydrates::GlycanTreeMinMover::set_min_bb(bool) –> void
-
set_min_chi
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, min_chi: bool) → None¶ Minimize Chi? Default True
C++: protocols::carbohydrates::GlycanTreeMinMover::set_min_chi(bool) –> void
-
set_min_rings
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, min_rings: bool) → None¶ Minimize Rings? Default False
C++: protocols::carbohydrates::GlycanTreeMinMover::set_min_rings(bool) –> void
-
set_minmover
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, min_mover: pyrosetta.rosetta.protocols.simple_moves.MinMover) → None¶ - Set a pre-configured MinMover for this class.
- Will OVERRIDE movemap settings.
C++: protocols::carbohydrates::GlycanTreeMinMover::set_minmover(class std::shared_ptr<const class protocols::simple_moves::MinMover>) –> void
-
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
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeMinMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ C++: protocols::carbohydrates::GlycanTreeMinMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
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
-
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
-
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
-
-
class
pyrosetta.rosetta.protocols.carbohydrates.
GlycanTreeRelax
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A protocol for optimizing glycan trees using GlycanRelax from the base of the tree out to the leaves.
Works by making all other residues virtual except the ones it is working on (current Layer). A virtual residue is not scored. It will start at the first glycan residues, and then move out to the edges.
GENERAL ALGORITHM
We start at the roots, and make all other glycan residues virtual. We first model towards the leaves and this is considered the forward direction. GlycanRelax is used for the actual modeling, we only model a layer at a time, until we reach the tips. If more than one round is set, the protocol will move backwards on the next round, from the leafs to the roots. A third round will involve relaxation again in the forward direction. So we go forward, back, forward, etc. for how ever many rounds you set.
QUECHING
By default, we model all glycans simultaneously. First, all glycan roots (the start of the tree), and slowly unvirtualize all glycan residues, while only modeling each layer. Alternatively, we can choose a particular glycan tree, run the algorithm, and then choose another glycan tree randomly until all glycan trees have been optimized. Here, we call this quenching.
GLYCAN LAYERS
Draw a tree on a paper. We start with the beginning N residues, and work our way out towards the leaves. Layers are defined by the glycan residue distance to the rooot. This enables branching residues to be considered the same layer conceptually and computationally, and allows them to be modeled together.
--LAYER SIZE– The distance that make up a layer. If we have a distance of 2, we first model all glycans that are equal to or less than 2 residue distance to the root. We then slide this layer up. So we take all residues that have a distance between 3 and 1, and so on.
–WINDOW SIZE–
The layers are slid down throught the tree of the glycan. The window size represents the overlap in the layers. A window size of 1, means that the last residue (or residues of layer 1) from the last modeling effort, will be used again as part of the next layer. A window size of 0, means that no residues will be re-modeled. Typically, we would want at least a window size of 1.
-
__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).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, arg0: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) -> None
-
__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__
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) → str¶
-
__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).
-
apply
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ Apply the mover
C++: protocols::carbohydrates::GlycanTreeRelax::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, : pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) → pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax¶ C++: protocols::carbohydrates::GlycanTreeRelax::operator=(const class protocols::carbohydrates::GlycanTreeRelax &) –> class protocols::carbohydrates::GlycanTreeRelax &
-
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
-
clone
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::GlycanTreeRelax::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::GlycanTreeRelax::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
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>
-
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
-
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>
-
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
-
get_name
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) → str¶ C++: protocols::carbohydrates::GlycanTreeRelax::get_name() const –> std::string
-
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>
-
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>
-
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>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
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 > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::carbohydrates::GlycanTreeRelax::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::carbohydrates::GlycanTreeRelax::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
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
-
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
-
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
-
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
-
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
-
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
-
set_final_min_pack_min
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, minpackmin: bool) → None¶ - Change the setting to do a final min/pack/min of all glycan residues or glycan residues set by the selector
- at the end of the protocol.
C++: protocols::carbohydrates::GlycanTreeRelax::set_final_min_pack_min(const bool) –> void
-
set_glycan_relax_rounds
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, glycan_relax_rounds: int) → None¶ Override Glycan Relax rounds.
C++: protocols::carbohydrates::GlycanTreeRelax::set_glycan_relax_rounds(unsigned long) –> void
-
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
-
set_layer_size
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, layer_size: int) → None¶ - Set the layer size we will be using. A layer is a set of glycan residues that we will be optimizing.
We work our way through the layers, while the rest of the residues are virtual (not scored).
The distance that make up a layer. If we have a distance of 2, we first model all glycans that are equal to or less than 2 residue distance to the root. We then slide this layer up. So we take all residues that have a distance between 3 and 1, and so on.
C++: protocols::carbohydrates::GlycanTreeRelax::set_layer_size(const unsigned long) –> void
-
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
-
set_quench_mode
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, quench_mode: bool) → None¶ - Set the protocol to use a quench-like algorithm, where we work on a single glycan tree at a time until
- all are modeled.
C++: protocols::carbohydrates::GlycanTreeRelax::set_quench_mode(bool) –> void
-
set_refine
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, refine: bool) → None¶ Set a boolean that we will be refining instead of de-novo modeling.
C++: protocols::carbohydrates::GlycanTreeRelax::set_refine(const bool) –> void
-
set_rounds
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, rounds: int) → None¶ C++: protocols::carbohydrates::GlycanTreeRelax::set_rounds(const unsigned long) –> void
-
set_scorefxn
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ Set the scorefunction used for modeling.
C++: protocols::carbohydrates::GlycanTreeRelax::set_scorefxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_selector
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ - Set a residue selector to limit the residues we will be modeling.
If you are using quench mode, the selector will limit the trees to model. So the residues that are true should correspond to the start of the trees you wish to model.
If you wish to limit further, this is not currently supported. So email me and I can add it.
C++: protocols::carbohydrates::GlycanTreeRelax::set_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
set_window_size
(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, window_size: int) → None¶ Set the window size. This is the overlap of the layers during modeling.
The layers are slid down throught the tree of the glycan. The window size represents the overlap in the layers. A window size of 1, means that the last residue (or residues of layer 1) from the last modeling effort, will be used again as part of the next layer. A window size of 0, means that no residues will be re-modeled. Typically, we would want at least a window size of 1.C++: protocols::carbohydrates::GlycanTreeRelax::set_window_size(const unsigned long) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax) -> None
- show(self: pyrosetta.rosetta.protocols.carbohydrates.GlycanTreeRelax, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::carbohydrates::GlycanTreeRelax::show(class std::basic_ostream<char> &) const –> void
-
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
-
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
-
-
class
pyrosetta.rosetta.protocols.carbohydrates.
LinkageConformerMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
- This code changes all of the dihedrals of a particular glycosidic linkage based on database info,
- esentially sampling carbohydrate dihedral conformers of two residues. Randomly samples on any set selector at each apply or (default) samples a linkage conformer for each residue set.
The linkage conformers are carbohydrate residue type and (and linkage oxygen) dependant ie MAN-MAN If data is not known here, by default we sample from restype-independant data. If there are multiple conformers for a given linkage, will randomly select from them.
3 Main Conformer Sampling Strategies:
/ 1) Mean + uniform in X standard deviations (Default) / ->Build conformers using the means of dihedrals + or - some amount within X standard deviations of the mean. / / See Also: / LinkageConformerMover.set_x_standard_deviations / / 2) Mean + probability in X standard deviations / / 3) Idealize / -> Use only means when building linkage conformers. / / See: / LinkageConformerMover.set_idealize_torsions //
-
__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).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, arg0: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) -> None
-
__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__
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → str¶
-
__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).
-
apply
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::carbohydrates::LinkageConformerMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, : pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover¶ C++: protocols::carbohydrates::LinkageConformerMover::operator=(const class protocols::carbohydrates::LinkageConformerMover &) –> class protocols::carbohydrates::LinkageConformerMover &
-
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
-
clone
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::LinkageConformerMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
conformer_found
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → bool¶ Boolean for if the restype-dependant conformer was found at apply. Resets at successive applies.
C++: protocols::carbohydrates::LinkageConformerMover::conformer_found() const –> bool
-
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>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::LinkageConformerMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
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>
-
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
-
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>
-
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
-
get_name
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → str¶ C++: protocols::carbohydrates::LinkageConformerMover::get_name() const –> std::string
-
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>
-
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>
-
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>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
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 > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::carbohydrates::LinkageConformerMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::carbohydrates::LinkageConformerMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
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
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → bool¶ C++: protocols::carbohydrates::LinkageConformerMover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → bool¶ C++: protocols::carbohydrates::LinkageConformerMover::reinitialize_for_new_input() const –> bool
-
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
-
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
-
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
-
set_defaults
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) → None¶ Set everything to default values, including linkage pairs.
C++: protocols::carbohydrates::LinkageConformerMover::set_defaults() –> void
-
set_idealize_torsions
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, idealize_torsions: bool) → None¶ - Idealize the torsion angles instead of sampling from SD.
- Default FALSE
C++: protocols::carbohydrates::LinkageConformerMover::set_idealize_torsions(bool) –> void
-
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
-
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
-
set_prob_sd_sampling
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, prob_sd_sample: bool) → None¶ - Set whether if we are sampling uniform within the set number of standard deviations or by uniform within the SD.
- Default FALSE
C++: protocols::carbohydrates::LinkageConformerMover::set_prob_sd_sampling(bool) –> void
-
set_residue_selector
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ - Set the Selector. Each apply will randomly sample Selector.
- If the conformer is not found, will set move status to false. Will optimize the linkage between the residue and the parent residue.
C++: protocols::carbohydrates::LinkageConformerMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
-
set_single_resnum
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, pose: pyrosetta.rosetta.core.pose.Pose, resnum: int) → None¶ Set a single resnum to sample on instead of a movemap.
C++: protocols::carbohydrates::LinkageConformerMover::set_single_resnum(const class core::pose::Pose &, unsigned long) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
set_use_conformer_population_stats
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, setting: bool) → None¶ Use conformer population data to weight sampling. Default TRUE.
C++: protocols::carbohydrates::LinkageConformerMover::set_use_conformer_population_stats(const bool) –> void
-
set_use_sugar_bb_data_if_needed
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, use_sugar_bb: bool) → None¶ - Use phi/psi data if restype-dependant conformer data unavailable.
- Will set phi/psi to lowest energy values if idealize is true. Default FALSE
C++: protocols::carbohydrates::LinkageConformerMover::set_use_sugar_bb_data_if_needed(bool) –> void
-
set_x_standard_deviations
(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, standard_deviations: float) → None¶ Sample within X standard_deviations of the means when building [non-idealized] conformers
C++: protocols::carbohydrates::LinkageConformerMover::set_x_standard_deviations(double) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover) -> None
- show(self: pyrosetta.rosetta.protocols.carbohydrates.LinkageConformerMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::carbohydrates::LinkageConformerMover::show(class std::basic_ostream<char> &) const –> void
-
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
-
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
-
class
pyrosetta.rosetta.protocols.carbohydrates.
SimpleGlycosylateMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover for glycosylation of biological glycosylations. Currently glysolylation is done based on string, not from PDB. Use GlycanRelax to model the resulting glycosylation!.
- Single Glycosylation:
- If a single glycosylation is passed, it will glycosylate all positions set with this glycan.
- Multiple Glycosylations:
- If multiple glycosylations are passed, will randomly select from these on apply to sample glycan hetergenecity. see glyco.set_weights to set weights for these glycans to sample non-random heterogenecity in the glycoform.
- The site should be ASN for N-linked glycosylations OR SER/THR for O-linked glycosylations
If a glycan already exists, will strip off the current glycan by default. set glyco.set_strip_existing_glycans( false ) to branch off existing glycans instead of deleting them.
see CreateGlycoSiteMover to create glyco sites (as N-linked glycosylations will need a specific motif to be biological)
Will randomly select from set positions and glycosylate all positions set.
- Glycosylations:
- If your name ends with .iupac or .gws (GlycoWorkBench), will try to load the file
- Next, it will check the short names in the Rosetta database for your string. If the string is in common_names.txt, will load the paired iupac sequence. See database/chemical/carbohydrates/common_glycans/common_names.txt for accepted short names.
Names include man3, man5, and man9.- If the name is not found, will attempt to build the glycan as an iupac sequence from the string.
- TODO JAB: Add Glycosylate from pdb/cif files in addition to IUPAC and short names.
- No current RosettaCarbohydrate functionality to load from PDB/CIF and attach to an existing pose..
-
__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).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, arg0: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> None
-
__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__
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover) → str¶
-
__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).
-
apply
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::carbohydrates::SimpleGlycosylateMover::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, : pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover) → pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover¶ C++: protocols::carbohydrates::SimpleGlycosylateMover::operator=(const class protocols::carbohydrates::SimpleGlycosylateMover &) –> class protocols::carbohydrates::SimpleGlycosylateMover &
-
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
-
clone
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::SimpleGlycosylateMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover) → pyrosetta.rosetta.protocols.moves.Mover¶ required in the context of the parser/scripting scheme
C++: protocols::carbohydrates::SimpleGlycosylateMover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
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>
-
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>
-
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
-
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>
-
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
-
get_name
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover) → str¶ C++: protocols::carbohydrates::SimpleGlycosylateMover::get_name() const –> std::string
-
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>
-
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>
-
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>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
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 > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
mover_name
() → str¶ C++: protocols::carbohydrates::SimpleGlycosylateMover::mover_name() –> std::string
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
provide_xml_schema
(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶ C++: protocols::carbohydrates::SimpleGlycosylateMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
-
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
-
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
-
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
-
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
-
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
-
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
-
set_glycosylation
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, iupac_or_common_string: str) → None¶ - Set the glycosylation that will happen.
See database/chemical/carbohydrates/common_glycans for common names. Names include man3, man5, and man9.
Can also use full iupac names.
See also: glycosylate.set_glycosylation_weights
C++: protocols::carbohydrates::SimpleGlycosylateMover::set_glycosylation(const class std::basic_string<char> &) –> void
-
set_glycosylation_weights
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, weights: pyrosetta.rosetta.utility.vector1_double) → None¶ Set weights for potential glycosylation if more than one is set.
C++: protocols::carbohydrates::SimpleGlycosylateMover::set_glycosylation_weights(const class utility::vector1<double, class std::allocator<double> > &) –> void
-
set_glycosylations
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, iupac_or_common_strings: pyrosetta.rosetta.utility.vector1_std_string) → None¶ - Set possible glycosylations - the mover will randomly pick these on apply
See database/chemical/carbohydrates/common_glycans for accepted names. Names include man3, man5, and man9.
Can also use full iupac names.
See also: glycosylate.set_glycosylation_weights
C++: protocols::carbohydrates::SimpleGlycosylateMover::set_glycosylations(const class utility::vector1<class std::basic_string<char>, class std::allocator<class std::basic_string<char> > > &) –> void
-
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_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_position
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, position: int) → None¶ Set a single resnum position
C++: protocols::carbohydrates::SimpleGlycosylateMover::set_position(unsigned long) –> void
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set_residue_selector
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶ Set positions from a Residue Selector.
C++: protocols::carbohydrates::SimpleGlycosylateMover::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
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set_strip_existing_glycans
(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, strip_existing: bool) → None¶ - This sets whether if we already have a glycan at a position, whether to extend it or delete the existing glycan.
- Advanced functionality - use with caution.
- Not yet work.
C++: protocols::carbohydrates::SimpleGlycosylateMover::set_strip_existing_glycans(bool) –> 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.carbohydrates.SimpleGlycosylateMover) -> None
- show(self: pyrosetta.rosetta.protocols.carbohydrates.SimpleGlycosylateMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::carbohydrates::SimpleGlycosylateMover::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
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pyrosetta.rosetta.protocols.carbohydrates.
get_all_glycans_and_neighbor_res_task_factory
(*args, **kwargs)¶ Overloaded function.
- get_all_glycans_and_neighbor_res_task_factory(subset: pyrosetta.rosetta.utility.vector1_bool) -> pyrosetta.rosetta.core.pack.task.TaskFactory
- get_all_glycans_and_neighbor_res_task_factory(subset: pyrosetta.rosetta.utility.vector1_bool, pack_distance: float) -> pyrosetta.rosetta.core.pack.task.TaskFactory
- get_all_glycans_and_neighbor_res_task_factory(subset: pyrosetta.rosetta.utility.vector1_bool, pack_distance: float, read_resfile: bool) -> pyrosetta.rosetta.core.pack.task.TaskFactory
Get a TaskFactory of all residues in the subset and neighboring residues.
- Operations:
- InitializeFromCommandline ReadResFile? If option given on cmd-line, returns TF up to this. NeighborhoodResidueSelector/OperateOnResidueSubset RestrictRepacking/PreventRepacking
C++: protocols::carbohydrates::get_all_glycans_and_neighbor_res_task_factory(const class utility::vector1<bool, class std::allocator<bool> > &, double, bool) –> class std::shared_ptr<class core::pack::task::TaskFactory>