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Structure.from_pdbid broken: MMTF download deprecated #159

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dominiquesydow opened this issue Aug 6, 2024 · 2 comments
Open

Structure.from_pdbid broken: MMTF download deprecated #159

dominiquesydow opened this issue Aug 6, 2024 · 2 comments

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@dominiquesydow
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dominiquesydow commented Aug 6, 2024

The MMTF format is no longer supported by the RCSB and replaced by the BCIF format.
https://www.rcsb.org/news/feature/65a1af31c76ca3abcc925d0c

Hence, also the mmtf package, which is a Python implementation of the MMTF API, is not in use any more:

return cls(mmtf.fetch(pdbid))

As the corresponding function in opencadd‘s Structure object mimics mdanalysisUniverse object, I think we also have to check in there.
https://github.com/MDAnalysis/mdanalysis/blob/develop/package/MDAnalysis/coordinates/MMTF.py#L56

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