sokrypton / sokrypton/ColabFold
Could not get MSA/templates for msa: [Errno 2] No such file or directory:
Nobody has claimed this yet.
- Dominant language
- Jupyter Notebook
- Stars
- 2.9k
- Forks
- 747
- PR merge metrics
- No merged PRs in 30d
Description
Current Behavior
While running ColabFold 1.5.5, we encountered a FileNotFoundError related to the MSA/templates file.
Below are the details of the error and the SLURM script used.
#SBATCH --partition=gpu
#SBATCH --constraint=v100
#SBATCH --mem=64G
source /programs/sbgrid.shrc
module load cuda/12.0
module load gcc/10.2.0
colabfold_batch --num-recycle 1
--random-seed 0
--model-type alphafold2_multimer_v3
--num-models 2
--max-msa 8:16
--zip
--templates
--custom-template-path template_path
--save-recycles
--disable-cluster-profile
--overwrite-existing-results
/msa_path/msa.a3m
/output_folder/
ColabFold Output (for bugs)
2024-07-26 15:26:48,678 Running colabfold 1.5.5 (1648d2335943f9a483b6a803ebaea3e76162c788)
2024-07-26 15:26:51,423 Running on GPU
2024-07-26 15:26:55,277 Found 8 citations for tools or databases
2024-07-26 15:26:55,370 Query 1/1: msa (length 296)
2024-07-26 15:26:56,803 Could not get MSA/templates for msa: [Errno 2] No such file or directory: '/template_path/r4dn.cif'
Traceback (most recent call last):
File "/programs/x86_64-linux/colabfold/1.5.5/colabfold-conda/lib/python3.10/site-packages/colabfold/batch.py", line 1475, in run
= get_msa_and_templates(jobname, query_seqs_unique, unpaired_msa, result_dir, 'single_sequence', use_templates,
File "/programs/x86_64-linux/colabfold/1.5.5/colabfold-conda/lib/python3.10/site-packages/colabfold/batch.py", line 794, in get_msa_and_templates
template_feature = mk_template(
File "/programs/x86_64-linux/colabfold/1.5.5/colabfold-conda/lib/python3.10/site-packages/colabfold/batch.py", line 140, in mk_template
templates_result = template_featurizer.get_templates(
File "/programs/x86_64-linux/colabfold/1.5.5/colabfold-conda/lib/python3.10/site-packages/alphafold/data/templates.py", line 883, in get_templates
result = _process_single_hit(
File "/programs/x86_64-linux/colabfold/1.5.5/colabfold-conda/lib/python3.10/site-packages/alphafold/data/templates.py", line 727, in _process_single_hit
cif_string = _read_file(cif_path)
File "/programs/x86_64-linux/colabfold/1.5.5/colabfold-conda/lib/python3.10/site-packages/alphafold/data/templates.py", line 670, in _read_file
with open(path, 'r') as f:
FileNotFoundError: [Errno 2] No such file or directory: '/template_path/r4dn.cif'
2024-07-26 15:26:56,822 Done
Context
I'm using a custom template and MSA. The MSA was obtained from MMseq, the .cif file contains( _entity_poly_seq and _pdbx_audit_revision_history.revision_date)
Environment
University cluster, no access to web server
My best guess is that is having issues with creating the msa for the template, but I don't know how to solve this.
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 colabfold/batch.py and the traceback through alphafold/data/templates.py, using the provided SLURM command and custom-template-path setting. Reproduce the missing-file failure and determine what handling or documentation is needed so the custom .cif template is found successfully.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- bioinformatics
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100