what pdbx package does parse_cif_noX.py expect?

dauparas / ProteinMPNN

Code for the ProteinMPNN paper

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what pdbx package does parse_cif_noX.py expect? #105

Open cseed opened 6 months ago

cseed commented 6 months ago

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 commented 6 months ago

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

anar-rzayev commented 3 months ago

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