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muon-spectroscopy-computational-project / muon-galaxy

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Add structure file datatypes #5

Closed elichad closed 2 years ago

elichad commented 3 years ago

Galaxy doesn't currently support the molecule file types typically used in pymuon-suite. These should be added:

Each new datatype should include a sniffer – we can use ase.io functions for this as ASE already supports all the formats we want to use.

elichad commented 2 years ago

Simon Bray has done some work on this at https://github.com/simonbray/galaxy/tree/muon-filetypes

elichad commented 2 years ago

Added in Galaxy 22.01