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kalininalab / alphafold_non_docker

AlphaFold2 non-docker setup
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Update run_relax option to models_to_relax #60

Open dxu16 opened 1 year ago

dxu16 commented 1 year ago

In alphafold 2.3.1 the option run_relax was changed to models_to_relax (https://github.com/deepmind/alphafold/commit/684ffa19c629833b767af786be9f3a02fa24ad2b). I modified the code in respective places to reflect the change, and set the default value to 'all' (which is consistent with the previous behavior).

dxu16 commented 1 year ago

Oh actually the commit that I am referring to happened after the release of 2.3.1. It is in the current main branch though. I cloned the alphafold main repo instead of using the 2.3.1 one following the instruction in readme. Maybe it is a good idea to wait until this becomes an actually release?

Old-Shatterhand commented 1 year ago

Hi @dxu16,

first of all, sorry for the delayed response. Second, thank you for participating. I will look into this issue soon but it seems to become an issue when Alphafold renames that flag in their next release.

Best, Roman