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 .