sokrypton / sokrypton/ColabFold

Two MSA results in --msa-only output

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Description

Expected Behavior

I'm using --msa-only mode to get the MSA file and it runs without issues. However, in the generated *.a3m file, I notice that there are two lines for >101, and it is like there are two different MSA results appended together. For example, when I plot query coverage ordered by lines in the file, the coverage goes down, and then it peaks. (This is the place for the second >101 header).

Current Behavior

newplot - 2024-05-07T140453 782
x = line number
y = query coverage

The .a3m file is attached as .txt (github doesn't allow loading a3m)
CUTINASE.txt

This is the Fasta file used as input (in .txt format)
1CUS.txt

Command used

colabfold_batch --msa-only 1CUS.fasta <output-directory>

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First steps

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Research direction

Reproduce the report with colabfold_batch --msa-only 1CUS.fasta <output-directory> and inspect the attached CUTINASE.txt and 1CUS.txt files. Trace the --msa-only command path to find why the generated .a3m contains a second >101 header; done means one coherent MSA result is produced without duplicated records.

Written by the indexing model from the issue text.

Assessment

Domain
bioinformatics, cli
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
42/100

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