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what pdbx package does parse_cif_noX.py expect? #105

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cseed opened this issue May 2, 2024 · 2 comments
Open

what pdbx package does parse_cif_noX.py expect? #105

cseed opened this issue May 2, 2024 · 2 comments

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@cseed
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cseed commented May 2, 2024

I'm trying to fine-tune ProteinMPNN but I'm unable to run parse_cif_noX.py to prepare my data for training. In particular, it imports pdbx, but I can't find a suitable pdbx package. I tried:

https://pypi.org/project/mmcif-pdbx/

but the import structure and method names don't match those used by parse_cif_noX.py. Can you advise what pdbx package parse_cif_noX.py expects? I couldn't find a mention of it in the docs. Thanks!

@JoshuaMeyers
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I believe this should work: https://pypi.org/project/pdbx-mmcif/

@anar-rzayev
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But does it still work? Because I have pip installed this package but parse_cif_noX.py still doesn't work

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