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
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 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