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
locuaz.basemutator module
locuaz.mutatordlp module
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.