vermouth.processors.sort_molecule_atoms module¶
Provides a processor that sorts atoms within molecules.
-
class
vermouth.processors.sort_molecule_atoms.
SortMoleculeAtoms
[source]¶ Bases:
vermouth.processors.processor.Processor
Sort the atoms within a molecule by chain, resid, and resname.
This is usefull, for instance, when atoms have been added (e.g. missing atoms identified by
vermouth.processors.repair_graph.RepairGraph
). The atom keys are left identical, only the order of the nodes is changed.