| |
- rosetta.protocols.moves.Mover(builtins.object)
-
- GlycanRelaxMover
- LinkageConformerMover
- SimpleGlycosylateMover
- rosetta.protocols.moves.MoverCreator(builtins.object)
-
- GlycanRelaxMoverCreator
- LinkageConformerMoverCreator
- SimpleGlycosylateMoverCreator
class GlycanRelaxMover(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 |
|
- Method resolution order:
- GlycanRelaxMover
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.core.kinematics.MoveMap, rosetta.core.scoring.ScoreFunction) -> NoneType
doc
3. __init__(self : handle, mm : rosetta.core.kinematics.MoveMap, scorefxn : rosetta.core.scoring.ScoreFunction, rounds : int) -> NoneType
4. __init__(handle, rosetta.protocols.carbohydrates.GlycanRelaxMover) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.carbohydrates.GlycanRelaxMover) -> str
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.carbohydrates.GlycanRelaxMover, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.carbohydrates.GlycanRelaxMover, : rosetta.protocols.carbohydrates.GlycanRelaxMover) -> rosetta.protocols.carbohydrates.GlycanRelaxMover
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.carbohydrates.GlycanRelaxMover) -> rosetta.protocols.moves.Mover
required in the context of the parser/scripting scheme
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.carbohydrates.GlycanRelaxMover) -> rosetta.protocols.moves.Mover
required in the context of the parser/scripting scheme
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.carbohydrates.GlycanRelaxMover) -> str
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.carbohydrates.GlycanRelaxMover) -> NoneType
- set_kt(...) from builtins.PyCapsule
- set_kt(self : rosetta.protocols.carbohydrates.GlycanRelaxMover, kt : float) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.carbohydrates.GlycanRelaxMover, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
Set the Movemap
- set_rounds(...) from builtins.PyCapsule
- set_rounds(self : rosetta.protocols.carbohydrates.GlycanRelaxMover, rounds : int) -> NoneType
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
- set_scorefunction(...) from builtins.PyCapsule
- set_scorefunction(self : rosetta.protocols.carbohydrates.GlycanRelaxMover, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
Set the ScoreFunction
- set_taskfactory(...) from builtins.PyCapsule
- set_taskfactory(self : rosetta.protocols.carbohydrates.GlycanRelaxMover, tf : rosetta.core.pack.task.TaskFactory) -> NoneType
Set the TaskFactory to control side-chain packing of surrounding amino acids and the OH groups of the glycans.
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
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 apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(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.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> 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.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
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.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(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).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
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.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class LinkageConformerMover(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.
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
// |
|
- Method resolution order:
- LinkageConformerMover
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(self : handle, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
3. __init__(handle, rosetta.protocols.carbohydrates.LinkageConformerMover) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.carbohydrates.LinkageConformerMover) -> str
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.carbohydrates.LinkageConformerMover, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.carbohydrates.LinkageConformerMover, : rosetta.protocols.carbohydrates.LinkageConformerMover) -> rosetta.protocols.carbohydrates.LinkageConformerMover
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.carbohydrates.LinkageConformerMover) -> rosetta.protocols.moves.Mover
required in the context of the parser/scripting scheme
- conformer_found(...) from builtins.PyCapsule
- conformer_found(rosetta.protocols.carbohydrates.LinkageConformerMover) -> bool
Boolean for if the restype-dependant conformer was found at apply. Resets at successive applies.
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.carbohydrates.LinkageConformerMover) -> rosetta.protocols.moves.Mover
required in the context of the parser/scripting scheme
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.carbohydrates.LinkageConformerMover) -> str
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.carbohydrates.LinkageConformerMover) -> NoneType
Set everything to default values, including linkage pairs.
- set_idealize_torsions(...) from builtins.PyCapsule
- set_idealize_torsions(self : rosetta.protocols.carbohydrates.LinkageConformerMover, idealize_torsions : bool) -> NoneType
Idealize the torsion angles instead of sampling from SD.
Default FALSE
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.carbohydrates.LinkageConformerMover, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
Set the Movemap. Each apply will randomly sample on the movemap.
If the conformer is not found, will set move status to false.
Will optimize the linkage between the residue and the parent residue.
- set_prob_sd_sampling(...) from builtins.PyCapsule
- set_prob_sd_sampling(self : rosetta.protocols.carbohydrates.LinkageConformerMover, uniform_sd_sample : bool) -> NoneType
Set whether if we are sampling uniform within the set number of standard deviations or by uniform within the SD.
Default FALSE
- set_single_resnum(...) from builtins.PyCapsule
- set_single_resnum(self : rosetta.protocols.carbohydrates.LinkageConformerMover, resnum : int) -> NoneType
Set a single resnum to sample on instead of a movemap.
- set_use_conformer_population_stats(...) from builtins.PyCapsule
- set_use_conformer_population_stats(self : rosetta.protocols.carbohydrates.LinkageConformerMover, setting : bool) -> NoneType
Use conformer population data to weight sampling. Default TRUE.
- set_use_sugar_bb_data_if_needed(...) from builtins.PyCapsule
- set_use_sugar_bb_data_if_needed(self : rosetta.protocols.carbohydrates.LinkageConformerMover, use_sugar_bb : bool) -> NoneType
Use phi/psi data if restype-dependant conformer data unavailable.
Will set phi/psi to lowest energy values if idealize is true.
Default FALSE
- set_x_standard_deviations(...) from builtins.PyCapsule
- set_x_standard_deviations(self : rosetta.protocols.carbohydrates.LinkageConformerMover, standard_deviations : float) -> NoneType
Sample within X standard_deviations of the means when building [non-idealized] conformers
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
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 apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(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.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> 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.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
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.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(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).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
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.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
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class SimpleGlycosylateMover(rosetta.protocols.moves.Mover) |
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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:
1) If your name ends with .iupac or .gws (GlycoWorkBench), will try to load the file
2) 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.
3)
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.. |
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- Method resolution order:
- SimpleGlycosylateMover
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> str
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, : rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> rosetta.protocols.carbohydrates.SimpleGlycosylateMover
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> rosetta.protocols.moves.Mover
required in the context of the parser/scripting scheme
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> rosetta.protocols.moves.Mover
required in the context of the parser/scripting scheme
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.carbohydrates.SimpleGlycosylateMover) -> str
- set_glycosylation(...) from builtins.PyCapsule
- set_glycosylation(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, iupac_or_common_string : str) -> NoneType
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
- set_glycosylation_weights(...) from builtins.PyCapsule
- set_glycosylation_weights(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, weights : rosetta.utility.vector1_double) -> NoneType
Set weights for potential glycosylation if more than one is set.
- set_glycosylations(...) from builtins.PyCapsule
- set_glycosylations(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, iupac_or_common_strings : rosetta.utility.vector1_std_string) -> NoneType
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
- set_position(...) from builtins.PyCapsule
- set_position(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, position : int) -> NoneType
Set a single resnum position
- set_positions(...) from builtins.PyCapsule
- set_positions(*args, **kwargs)
Overloaded function.
1. set_positions(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, positions : rosetta.utility.vector1_bool) -> NoneType
Set multiple positions to glycosylate
2. set_positions(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, positions : rosetta.utility.vector1_unsigned_long) -> NoneType
Set mutliple positions to glycosylate
- set_positions_from_movemap(...) from builtins.PyCapsule
- set_positions_from_movemap(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, mm : rosetta.core.kinematics.MoveMap) -> NoneType
Set positions to glycosylate using a movemap.
- set_strip_existing_glycans(...) from builtins.PyCapsule
- set_strip_existing_glycans(self : rosetta.protocols.carbohydrates.SimpleGlycosylateMover, strip_existing : bool) -> NoneType
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.
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
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 apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(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.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> 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.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
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.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(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).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
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.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
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