sokrypton / sokrypton/ColabFold
Empty hit_pdb files because of Error: Could not find CIFs
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Description
Expected Behavior
colabfold_batch predicts structures for all complexes
Current Behavior
For some of the complexes, colabfold_batch produces an error (see example in screenshot). I suspect this to be caused by the generated hit_pdb file being empty as for the failing complexes the respective m8 files has a size of 0 bytes (see red rectangle in screenshot).
The remaining complexes with a filled m8 file get predicted correctly.
ColabFold Output (for bugs)
Context
I am following the suggested pipeline with colabfold_search and colabfold_batch. The first step runs, but results in many empty hit_pdb files for my PP complexes, which fail during the second step colabfold_batch
Your Environment
localcolabfold setup script on Debian 12 with L40S GPU.
Question
What am I doing wrong? How can this be fixed?
Thank you in advance!
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by reproducing the suggested colabfold_search then colabfold_batch pipeline on the PP complexes, using the ColabFold output and empty m8 and hit_pdb files as checkpoints. Compare failing and successful complexes and verify that colabfold_batch completes predictions without the “Could not find CIFs” error.
Written by the indexing model from the issue text.
Assessment
- Domain
- bioinformatics
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100