KosinskiLab / AlphaPulldown

https://doi.org/10.1093/bioinformatics/btac749
GNU General Public License v3.0
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Convert predicted models to modelcif #365

Closed DimaMolod closed 3 months ago

DimaMolod commented 3 months ago

feature metadata for all features from the complex is now copied to the prediction dir. convert_to_modelcif.py only takes the output dir; no need to provide feature_dirs anymore. convert_to_modelcif reads from jsons instead of pickles. Multiple other adaptations to AP v.2 workflow in convert_to_modelcif.py.