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prehensilecode / alphafold_singularity

Singularity recipe for AlphaFold
GNU General Public License v3.0
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Missing `uniclust30/uniclust30_2018_08` #19

Closed GentleInfant closed 1 year ago

GentleInfant commented 1 year ago

I've newly set up alphafold using your instructions for singularity (much more success than using Docker, thank you!). But when it comes to running singularity/run_singularity.py I'm getting an error about not being able to find <data_dir>/uniclust30/uniclust30_2018_08. I'm not sure but has it been renamed to UniRef30 and the script needs to be updated?

GentleInfant commented 1 year ago

Created a PR that updates the reference https://github.com/prehensilecode/alphafold_singularity/pull/20

prehensilecode commented 1 year ago

The release version of alphafold_singularity is based on AlphaFold 2.2.4.

The README.md of AlphaFold 2.2.4 shows that it downloads uniclust30_2018_08.

Please build the alphafold_singularity 2.2.4 with AlphaFold 2.2.4.

We'll plan for this change to go into version 2.3.1 to match AlphaFold 2.3.1, but it may be a few weeks before I get time to work on this.

GentleInfant commented 1 year ago

Ah, that would make sense. Well, you have this for when you're ready for it :)

prehensilecode commented 1 year ago

Addressed by 2d86f588fcdce82526397a0f1673edc492220662