vermouth.processors.rename_modified_residues module

Provides a processor that renames residues based on their current residue names and identified modifications, such as PTMs.

class vermouth.processors.rename_modified_residues.RenameModifiedResidues[source]

Bases: Processor


Renames residue names based on the current residue name, and the found modifications. The new names are found in force_field.renamed_residues, which should be a mapping of {(rename, [modification_name, ...]): new_name}.


mol (Molecule) – The molecule whose residue names should be changed. Is modified in-place.