rosetta.protocols.ddg
index
(built-in)

Bindings for protocols::ddg namespace

 
Classes
       
rosetta.protocols.moves.Mover(builtins.object)
ddGMover

 
class ddGMover(rosetta.protocols.moves.Mover)
    
Method resolution order:
ddGMover
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, s : rosetta.core.scoring.ScoreFunction, m : rosetta.core.scoring.ScoreFunction, res_to_mutate : rosetta.utility.vector1_core_chemical_AA) -> NoneType
 
3. __init__(handle, rosetta.protocols.ddg.ddGMover) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
apply(...) from builtins.PyCapsule
apply(self : rosetta.protocols.ddg.ddGMover, pose : rosetta.core.pose.Pose) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.ddg.ddGMover,  : rosetta.protocols.ddg.ddGMover) -> rosetta.protocols.ddg.ddGMover
ddG(...) from builtins.PyCapsule
ddG(rosetta.protocols.ddg.ddGMover) -> float
debug_output(...) from builtins.PyCapsule
debug_output(self : rosetta.protocols.ddg.ddGMover, truefalse : bool) -> NoneType
dump_pdbs(...) from builtins.PyCapsule
dump_pdbs(self : rosetta.protocols.ddg.ddGMover, truefalse : bool) -> NoneType
get_delta_energy_components(...) from builtins.PyCapsule
get_delta_energy_components(rosetta.protocols.ddg.ddGMover) -> rosetta.utility.vector1_double
get_min_cst(...) from builtins.PyCapsule
get_min_cst(rosetta.protocols.ddg.ddGMover) -> bool
get_mutant_averaged_score_components(...) from builtins.PyCapsule
get_mutant_averaged_score_components(rosetta.protocols.ddg.ddGMover) -> rosetta.utility.vector1_double
get_mutant_averaged_totals(...) from builtins.PyCapsule
get_mutant_averaged_totals(rosetta.protocols.ddg.ddGMover) -> float
get_mutant_min_score_components(...) from builtins.PyCapsule
get_mutant_min_score_components(rosetta.protocols.ddg.ddGMover) -> rosetta.utility.vector1_double
get_mutant_min_totals(...) from builtins.PyCapsule
get_mutant_min_totals(rosetta.protocols.ddg.ddGMover) -> float
get_name(...) from builtins.PyCapsule
get_name(rosetta.protocols.ddg.ddGMover) -> str
get_num_decoys_used_in_calculations(...) from builtins.PyCapsule
get_num_decoys_used_in_calculations(rosetta.protocols.ddg.ddGMover) -> float
get_scorefunction_header(...) from builtins.PyCapsule
get_scorefunction_header(self : rosetta.protocols.ddg.ddGMover, sfxn : rosetta.core.scoring.ScoreFunction, components : rosetta.utility.vector1_std_string) -> NoneType
get_wt_averaged_score_components(...) from builtins.PyCapsule
get_wt_averaged_score_components(rosetta.protocols.ddg.ddGMover) -> rosetta.utility.vector1_double
get_wt_averaged_totals(...) from builtins.PyCapsule
get_wt_averaged_totals(rosetta.protocols.ddg.ddGMover) -> float
get_wt_min_score_components(...) from builtins.PyCapsule
get_wt_min_score_components(rosetta.protocols.ddg.ddGMover) -> rosetta.utility.vector1_double
get_wt_min_totals(...) from builtins.PyCapsule
get_wt_min_totals(rosetta.protocols.ddg.ddGMover) -> float
is_interface_ddg(...) from builtins.PyCapsule
is_interface_ddg(*args, **kwargs)
Overloaded function.
 
1. is_interface_ddg(self : rosetta.protocols.ddg.ddGMover, truefalse : bool) -> NoneType
 
2. is_interface_ddg(rosetta.protocols.ddg.ddGMover) -> bool
is_mutant_calc_complete(...) from builtins.PyCapsule
is_mutant_calc_complete(rosetta.protocols.ddg.ddGMover) -> bool
is_properly_initialized(...) from builtins.PyCapsule
is_properly_initialized(self : rosetta.protocols.ddg.ddGMover, pose : rosetta.core.pose.Pose) -> bool
is_wt_calc_complete(...) from builtins.PyCapsule
is_wt_calc_complete(rosetta.protocols.ddg.ddGMover) -> bool
minimization_score_function(...) from builtins.PyCapsule
minimization_score_function(rosetta.protocols.ddg.ddGMover) -> rosetta.core.scoring.ScoreFunction
mutant_score_components(...) from builtins.PyCapsule
mutant_score_components(*args, **kwargs)
Overloaded function.
 
1. mutant_score_components(self : rosetta.protocols.ddg.ddGMover, msc : ObjexxFCL::FArray2D<double>) -> NoneType
 
2. mutant_score_components(rosetta.protocols.ddg.ddGMover) -> ObjexxFCL::FArray2D<double>
mutation_label(...) from builtins.PyCapsule
mutation_label(self : rosetta.protocols.ddg.ddGMover, pose : rosetta.core.pose.Pose) -> str
neighbor_cutoff(...) from builtins.PyCapsule
neighbor_cutoff(*args, **kwargs)
Overloaded function.
 
1. neighbor_cutoff(self : rosetta.protocols.ddg.ddGMover, cutoff : float) -> NoneType
 
2. neighbor_cutoff(rosetta.protocols.ddg.ddGMover) -> float
num_iterations(...) from builtins.PyCapsule
num_iterations(*args, **kwargs)
Overloaded function.
 
1. num_iterations(self : rosetta.protocols.ddg.ddGMover, num : int) -> NoneType
 
2. num_iterations(rosetta.protocols.ddg.ddGMover) -> int
residues_to_mutate(...) from builtins.PyCapsule
residues_to_mutate(*args, **kwargs)
Overloaded function.
 
1. residues_to_mutate(self : rosetta.protocols.ddg.ddGMover, residues : rosetta.utility.vector1_core_chemical_AA) -> NoneType
 
2. residues_to_mutate(rosetta.protocols.ddg.ddGMover) -> rosetta.utility.vector1_core_chemical_AA
restrict_to_nbrs(...) from builtins.PyCapsule
restrict_to_nbrs(*args, **kwargs)
Overloaded function.
 
1. restrict_to_nbrs(self : rosetta.protocols.ddg.ddGMover, truefalse : bool) -> NoneType
 
2. restrict_to_nbrs(rosetta.protocols.ddg.ddGMover) -> bool
score_function(...) from builtins.PyCapsule
score_function(*args, **kwargs)
Overloaded function.
 
1. score_function(self : rosetta.protocols.ddg.ddGMover, s : rosetta.core.scoring.ScoreFunction) -> NoneType
 
2. score_function(rosetta.protocols.ddg.ddGMover) -> rosetta.core.scoring.ScoreFunction
set_mean(...) from builtins.PyCapsule
set_mean(self : rosetta.protocols.ddg.ddGMover, truefalse : bool) -> NoneType
set_min(...) from builtins.PyCapsule
set_min(self : rosetta.protocols.ddg.ddGMover, truefalse : bool) -> NoneType
set_min_cst(...) from builtins.PyCapsule
set_min_cst(self : rosetta.protocols.ddg.ddGMover, truefalse : bool) -> NoneType
set_minimization_score_function(...) from builtins.PyCapsule
set_minimization_score_function(self : rosetta.protocols.ddg.ddGMover, s : rosetta.core.scoring.ScoreFunction) -> NoneType
set_num_decoys_used_in_calculations(...) from builtins.PyCapsule
set_num_decoys_used_in_calculations(self : rosetta.protocols.ddg.ddGMover, num_lowe_used : float) -> NoneType
use_mean(...) from builtins.PyCapsule
use_mean(rosetta.protocols.ddg.ddGMover) -> bool
use_min(...) from builtins.PyCapsule
use_min(rosetta.protocols.ddg.ddGMover) -> bool
wt_score_components(...) from builtins.PyCapsule
wt_score_components(*args, **kwargs)
Overloaded function.
 
1. wt_score_components(self : rosetta.protocols.ddg.ddGMover, wsc : ObjexxFCL::FArray2D<double>) -> NoneType
 
2. wt_score_components(rosetta.protocols.ddg.ddGMover) -> ObjexxFCL::FArray2D<double>
wt_unbound_score_components(...) from builtins.PyCapsule
wt_unbound_score_components(*args, **kwargs)
Overloaded function.
 
1. wt_unbound_score_components(self : rosetta.protocols.ddg.ddGMover, wusc : ObjexxFCL::FArray2D<double>) -> NoneType
 
2. wt_unbound_score_components(rosetta.protocols.ddg.ddGMover) -> ObjexxFCL::FArray2D<double>

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
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
 
Return a clone of the Mover object.
create(...) from builtins.PyCapsule
create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
fresh_instance(...) from builtins.PyCapsule
fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
 
Generates a new Mover object freshly created with the default ctor.
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 Moverget_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