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OpenFreeEnergy / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Create a ProteinMapping subclass #74

Open IAlibay opened 1 month ago

IAlibay commented 1 month ago

To do protein-protein mapping, it would be good to have a mapping subclass that is specific to ProteinComponents (that way we don't expect folks to use LigandAtomMapping).