These scripts are meant to be used together with the alphapulldown pipeline (https://github.com/KosinskiLab/AlphaPulldown, tested for versions 0.22.3 and 0.30.7) to identify potential novel LIRs.

They generate input files, analyze the resulting structural predictions, and summarize the results.

Requirements (Python)

• python 3.10.9
• matplotlib 3.7.1
• MDAnalysis 2.3.0
• mdtraj 1.9.7
• biopython 1.78
• pymol 2.5.7

Other requirements

• msms 2.2.6.1

If you use these scripts for a scientific publication, please cite https://doi.org/10.1101/2024.09.06.611604 .