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minD score for AlphaFold-Multimer

⛔ [THIS REPO IS NOT ACTIVE]: A more complete package to calculate minD, analyze, and fragment proteins are published in the alirezaomidi/AFminD repo.

Prerequisites

You need to have ColabFold experiments saved in zip files. Use --zip option while running ColabFold for this purpose. You also need to save the outputs of the distogram head. Use --save-all option while running ColabFold for this purpose.

Calculating minD

Compute minD scores for the AlphaFold-Multimer models using the compute_mind.py script. The script will compute the minD score for each model and save the results in a json file within the experiment directory:

./armidr/compute_mind.py /path/to/colabfold/experiment --n-jobs 5