mutators.rst

Mutators

Using DLPacker based mutators

If you wish to used DLPacker based Mutators (dlp and dlpr), DLPacker weights have to be downloaded. Get them over here or ` here`_. These weights have to be extracted to a dedicated folder and its path has to be specified in the input config under the paths key, on the mutator option.

locuaz.mutators module

.. automodule:: locuaz.mutators
   :members:
   :undoc-members:
   :show-inheritance:

locuaz.basemutator module

.. automodule:: locuaz.basemutator
   :members:
   :undoc-members:
   :show-inheritance:

locuaz.mutatordlp module

.. automodule:: locuaz.mutatordlp
   :members:
   :undoc-members:
   :show-inheritance:

locuaz.mutatordlpr module

The dlpr mutator uses DLPacker to reorient the side-chains of the residues that are within a certain distance of the mutated position. To adjust this distance use the config['mutation']['reconstruct_radius'] option. Notice that non-standard residues and cysteins that are forming sulfide bridges will be excluded from this reorientation.

.. automodule:: locuaz.mutatordlpr
   :members:
   :undoc-members:
   :show-inheritance:

locuaz.mutatorevoef2 module

.. automodule:: locuaz.mutatorevoef2
   :members:
   :undoc-members:
   :show-inheritance: