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- builtins.object
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- SolutionPicker
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- FilteredSolutions
- RandomSolutions
class FilteredSolutions(SolutionPicker) |
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Apply rama and bump checks to quickly filter out bad solutions.
The rama check only considers the pivot torsions, since it is
assumed that the non-pivot torsions were set as desired. This check
employs a Monte Carlo acceptance step, which means that the pivot torsions
will really be sampled from a rama distribution (ignoring the inherent
geometric biases in the closure algorithm) when this check is enabled.
However, note that the rama distribution will be double-counted if the
score function also contains a rama term, which it usually does.
The bump check checks for clashes between the N, CA, C, O, and CB atoms of
every residue in the loop versus every other residue in the protein. This
filter is O(n^2) and is much slower than the constant time rama check. The
rama check is also very selective; it usually filters out more than 90% of
proposed solutions. For these reasons, it is important that the rama check
be run before the bump check. You can disable the rama check, but this
would probably lead to a noticeable drop in performance. |
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- Method resolution order:
- FilteredSolutions
- SolutionPicker
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
doc
2. __init__(handle, bool) -> NoneType
doc
3. __init__(handle, bool, bool) -> NoneType
doc
4. __init__(self : handle, check_rama : bool, check_overlap : bool, be_lenient : bool) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- be_lenient(...) from builtins.PyCapsule
- be_lenient(rosetta.protocols.kinematic_closure.solution_pickers.FilteredSolutions) -> NoneType
Make the bump check more lenient.
- check_overlap(...) from builtins.PyCapsule
- check_overlap(rosetta.protocols.kinematic_closure.solution_pickers.FilteredSolutions) -> NoneType
Enable the bump check.
- check_rama(...) from builtins.PyCapsule
- check_rama(rosetta.protocols.kinematic_closure.solution_pickers.FilteredSolutions) -> NoneType
Enable the rama check.
- dont_be_lenient(...) from builtins.PyCapsule
- dont_be_lenient(rosetta.protocols.kinematic_closure.solution_pickers.FilteredSolutions) -> NoneType
Make the bump check more lenient.
- dont_check_overlap(...) from builtins.PyCapsule
- dont_check_overlap(rosetta.protocols.kinematic_closure.solution_pickers.FilteredSolutions) -> NoneType
Disable the bump check.
- dont_check_rama(...) from builtins.PyCapsule
- dont_check_rama(rosetta.protocols.kinematic_closure.solution_pickers.FilteredSolutions) -> NoneType
Disable the rama check.
- pick_and_apply(...) from builtins.PyCapsule
- pick_and_apply(self : rosetta.protocols.kinematic_closure.solution_pickers.FilteredSolutions, pose : rosetta.core.pose.Pose, solutions : rosetta.utility.vector1_std_shared_ptr_const_protocols_kinematic_closure_ClosureSolution_t) -> bool
SolutionPicker::pick_and_apply
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class SolutionPicker(builtins.object) |
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Base class for all the solution picking algorithms. |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.protocols.kinematic_closure.solution_pickers.SolutionPicker) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- pick_and_apply(...) from builtins.PyCapsule
- pick_and_apply(self : rosetta.protocols.kinematic_closure.solution_pickers.SolutionPicker, pose : rosetta.core.pose.Pose, solutions : rosetta.utility.vector1_std_shared_ptr_const_protocols_kinematic_closure_ClosureSolution_t) -> bool
Pick a solution from the given list, and if apply it to the given
pose. If no solution is satisfactory, don't do anything.
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