RosettaCommons / RosettaCommons/RFdiffusion
ValueError: ('B', 120) is not in list
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Description
I have a directory of ~1800 pdb files that I am trying to use to generate a large directory of constraints for binder design using make_secstruc_adj.py. This is what I typed:
make_secstruc_adj.py --pdb_dir binderpdbstructures/ --out_dir binderconstraints/
It makes about a dozen constraints before it fails with the error given in the subject line. How do I fix this?
Thank you.
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Research direction
Start with the make_secstruc_adj.py entry point and run the command against the PDB directory, recording which input file triggers the failure. Inspect the failing file and the surrounding lookup that raises ValueError: ('B', 120) is not in list; done means the input set is processed without an unhandled error or the malformed input is clearly reported.
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Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 28/100