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)

image

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

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. 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

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