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Defining a Foyer XML format #317
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There are now a few force field XML formats: the original OpenMM XML, Foyer's soft fork, Open Force Field's flavor (https://github.com/openforcefield/openforcefields/tree/master/openforcefields/offxml), and another we are developing in the backend. To somewhat clarify compatibility, I propose we introduce a Foyer-specific file extension that explicitly tells a loader that a given XML is meant to be a Foyer XML. This can be
.foyerxml
,.fxml
, or something else, I don't have a strong preference. This would involvefile.xml
is passed (i.e."Reading file in as a Foyer XML, consider changing the file extension to .foyerxml"
)file.xml
is passed, thus making this a non-breaking changeWhat do you think @mosdef-hub/mosdef-contributors?
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