RosettaCommons / RosettaCommons/RFdiffusion
AssertionError: ('B', 1) is not in pdb file!
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Description
Hello,
I keep trying to run the binder design example: ./scripts/run_inference.py 'contigmap.contigs=[B1-100/0 100-100]' inference.output_prefix=test_outputs/binder_test inference.num_designs=10
But there seems to be an issue with how the PDB files are being read. I keep getting the following error: "AssertionError: ('B', 1) is not in pdb file!". This is irrespective of which PDB file I specify from the 'input_pdbs' folder, or whether I even specify an 'inference.input_pdb' argument at all. Could you please help with this?
Thanks
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Research direction
Start by reproducing the binder design command in scripts/run_inference.py with and without inference.input_pdb, then inspect how PDB files from input_pdbs are read and how chain B residue 1 is looked up. Done means the example runs without the "('B', 1) is not in pdb file!" assertion for the reported inputs.
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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
- 42/100