sokrypton / sokrypton/ColabFold

PDB70 setup and AlphaFold batch calls throw error jobs/id/pdb70.m8 no such file or directory

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Description

Hi,

I tried deploying the MsaServer by following the steps in the README and tackling some issues by going through the GitHub issues in this repository.

I am currently unable to run a call against the server because of the PDB70 database setup.
While the setup-and-start-local.sh script does not include the pdb70 database, I set it up manually via:
1 ) the mmseqs CLI
2) Downloading it via this script: https://github.com/google-deepmind/alphafold/blob/main/scripts/download_pdb70.sh
I also followed this GitHub issue https://github.com/sokrypton/ColabFold/issues/502 hoping that it won't be necessary in the end.

Running the following command:

cf.run_mmseqs2(seqs, prefix,host_url="http://localhost:80" ,use_env=False, use_filter=False)

Alternatively, running this notebook against my deployed server returns the same error: https://colab.research.google.com/github/sokrypton/ColabFold/blob/v1.0-alpha/AlphaFold2.ipynb

Expected Behavior

Request runs and returns 200

Current Behavior

File "/home/localcolabfold/localcolabfold/colabfold-conda/lib/python3.10/site-packages/colabfold/colabfold.py", line 238, in run_mmseqs2
    raise Exception(f'MMseqs2 API is giving errors. Please confirm your input is a valid protein sequence. If error persists, please try again an hour later.')
Exception: MMseqs2 API is giving errors. Please confirm your input is a valid protein sequence. If error persists, please try again an hour later.

Server logs:

Execution Error: open /home/ColabFold/MsaServer/jobs/KpdS5edZBKjg7wAg1qquwNyiIZxvpPocyJId7g/pdb70.m8: no such file or directory

Steps to Reproduce (for bugs)

  • Deploy the server by following the latest README from MsaServer
  • Adjust the config.json to include pdb70. Otherwise, an error is thrown stating _a3m.ffdata file is not found
  • Run the setup-and-start-local.sh script
  • Run the AlphaFold batch notebook

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 with the README and setup-and-start-local.sh, then inspect config.json and the PDB70 setup path referenced in the issue. Reproduce the AlphaFold2.ipynb or cf.run_mmseqs2 call and trace why jobs/id/pdb70.m8 is absent. Done means the request completes successfully and returns HTTP 200 without the missing-file error.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook, python, shell
Domain
api, bioinformatics
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
25/100

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