soedinglab / MMseqs2-App

MMseqs2 app to run on your workstation or servers
https://search.foldseek.com
GNU General Public License v3.0
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Missing params format specification #2

Closed simone-pignotti closed 5 years ago

simone-pignotti commented 5 years ago

The Params file section in the docker-compose README is empty. It is easy to understand the basic parameters from the examples, but it would be useful to have it in the README for quick reference.

Thanks for maintaining this amazing tool! Simone

josemduarte commented 5 years ago

Indeed, it'd be great to have some docs about the params file.

For instance I was using this from an older mmseqs2-app version:

{
  "display": {
    "name": "PDB protein sequence (seqres)",
    "version": "",
    "default": true,
    "order": 0
  },
  "params": {
    "search": "-s 5",
    "profile": "0",
    "maxseqlen": "32000"
  }
}

But following the current examples I'm now using:

{
  "display": {
    "name": "PDB protein sequence (seqres)",
    "version": "",
    "default": true,
    "order": 0,
    "index": "-s 6",
    "search": "-s 6",
    "profile": "0",
    "max-accept": "--max-accept 1000"
  }
}

But that's purely guessing from examples and code. For instance I'd be happy to know if it was possible to customise the --max-accept parameter.

josemduarte commented 5 years ago

Actually what I would really like to do is changing the --max-seqs default, would that be possible with something like this?:

{
  "display": {
    "name": "PDB protein sequence (seqres)",
    "version": "",
    "default": true,
    "order": 0,
    "index": "-s 6",
    "search": "-s 6",
    "profile": "0",
    "maxseqs": "--max-seqs 1000"
  }
}
milot-mirdita commented 5 years ago

Sorry for not updating this issue sooner, I was stuck on doing other stuff :(

I added a description of the params file here: https://github.com/soedinglab/MMseqs2-App/blob/master/docker-compose/README.md

You have to stick all parameters together in a single string. This string will then be passed to MMseqs2.

The index and search properties are subject to a slightly change in the future so we can support additional search workflows (linsearch, reciprocal search, taxonomy (if I get a bachelor or master student to build this))

simone-pignotti commented 5 years ago

Ok, thank you very much! Could you please notify us on this issue (or by other means) if that actually evolves? This is the classic situation which could break a docker container for people (like myself) running docker pulls in bulk and in a hurry.

milot-mirdita commented 5 years ago

I'll make sure to bind the docker-compose to a specific version and also provide an easy (or automated) upgrade path for the database parameters.