sokrypton / sokrypton/ColabFold
Should mmseq2 be skipped, when --use-templates and --custom-template-path and custom MSA are provided?
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Description
Expected Behavior
Skip mmseq2 search.
Current Behavior
In code around line 1364 in colabfold/batch.py, it seems even when use_templates is True, a3m_lines is not None (use custom MSA) and custom_template_path is specified (not None), the first if statement is True and mmseq2 is called. Should not mmseq2 be skipped inside the get_msa_and_templates method?
Thanks.
###########################################
# generate MSA (a3m_lines) and templates
###########################################
try:
if use_templates or a3m_lines is None:
(unpaired_msa, paired_msa, query_seqs_unique, query_seqs_cardinality, template_features) \
= get_msa_and_templates(jobname, query_sequence, result_dir, msa_mode, use_templates,
custom_template_path, pair_mode, host_url)
if a3m_lines is not None:
(unpaired_msa, paired_msa, query_seqs_unique, query_seqs_cardinality, template_features_) \
= unserialize_msa(a3m_lines, query_sequence)
if not use_templates: template_features = template_features_
Steps to Reproduce (for bugs)
Please make sure to reproduce the issue after a "Factory Reset" in Colab.
If running locally ypdate you local installation colabfold_batch to the newest version.
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ColabFold Output (for bugs)
Please make sure to also post the complete ColabFold output. You can use gist.github.com for large output.
Context
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Your Environment
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Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
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- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start in colabfold/batch.py around line 1364 and trace get_msa_and_templates alongside the custom-MSA path. Check the combination of use_templates=True, provided a3m_lines, and custom_template_path; done means mmseq2 is skipped for that combination while other behavior remains unchanged.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- bioinformatics
- Issue type
- Bug
- Difficulty
- 2/5
- Estimated time
- 1-3 hours
- Activity status
- Stale
- Clarity
- Clearly specified
- Newbie friendliness
- 45/100