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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 .

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