sokrypton / sokrypton/ColabFold

--prefilter-mode flag incompatible with recommended version of mmseqs (colabfold search)

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Description

Input Command:

colabfold_search /home/nwoodall/work/jobs/input_fasta/msa_generation/FACS_cf_run2.csv /data/colabfold_dbs /home/nwoodall/work/jobs/input_fasta/FACS_run2 --db2 pdb100_230517 --use-templates 1 --mmseqs /home/nwoodall/repos/MMseqs2/build/bin/mmseqs

Error Message:

references:

  • Steinegger M, Soding J: MMseqs2 enables sensitive protein sequence searching for the analysis of massive data sets. Nature Biotechnology, 35(11), 1026-1028 (2017)
    Unrecognized parameter "--prefilter-mode". Did you mean "--filter-msa" (Filter MSA)?
    Traceback (most recent call last):
    File "/home/nwoodall/repos/localcolabfold/colabfold-conda/bin/colabfold_search", line 8, in
    sys.exit(main())
    File "/home/nwoodall/repos/localcolabfold/colabfold-conda/lib/python3.10/site-packages/colabfold/mmseqs/search.py", line 390, in main
    mmseqs_search_monomer(
    File "/home/nwoodall/repos/localcolabfold/colabfold-conda/lib/python3.10/site-packages/colabfold/mmseqs/search.py", line 101, in mmseqs_search_monomer
    run_mmseqs(mmseqs, ["search", base.joinpath("qdb"), dbbase.joinpath(uniref_db), base.joinpath("res"), base.joinpath("tmp"), "--threads", str(threads)] + search_param)
    File "/home/nwoodall/repos/localcolabfold/colabfold-conda/lib/python3.10/site-packages/colabfold/mmseqs/search.py", line 27, in run_mmseqs
    subprocess.check_call([mmseqs] + params)
    File "/home/nwoodall/repos/localcolabfold/colabfold-conda/lib/python3.10/subprocess.py", line 369, in check_call
    raise CalledProcessError(retcode, cmd)
    subprocess.CalledProcessError: Command '[PosixPath('/home/nwoodall/repos/MMseqs2/build/bin/mmseqs'), 'search', PosixPath('/home/nwoodall/work/jobs/m_csf1r/input_fasta/FACS_run2/qdb'), PosixPath('/data2/scratch2/nwoodall/colabfold_dbs/uniref30_2302_db'), PosixPath('/home/nwoodall/work/jobs/m_csf1r/input_fasta/FACS_run2/res'), PosixPath('/home/nwoodall/work/jobs/m_csf1r/input_fasta/FACS_run2/tmp'), '--threads', '64', '--num-iterations', '3', '--db-load-mode', '0', '-a', '-e', '0.1', '--max-seqs', '10000', '--prefilter-mode', '2', '--k-score', "'seq:96,prof:80'"]' returned non-zero exit status 1.

This is using the currently recommended version of mmseqs from the github repository.

Note: MMseqs2 71dd32ec43e3ac4dabf111bbc4b124f1c66a85f1 (May 28, 2023) is used to create the databases and perform sequece search in the ColabFold MSA server. Please use this version if you want to obtain the same MSAs as the server.

There is no error with the newest version of MMSeqs version.

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 in colabfold/mmseqs/search.py, especially mmseqs_search_monomer and run_mmseqs, where --prefilter-mode is added to the search parameters. Compare that parameter with the supported MMseqs version and verify a ColabFold search completes without the unrecognized-parameter error.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook, python
Domain
bioinformatics
Issue type
Bug
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
32/100

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