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Article ID: 771 - Last Modified:

I have a lot of protein-ligand complexes, and would like to use Glide SP and XP to calculate the scores. How do I proceed?

You could try the cross-docking script xglide.py (Scripts → Docking → Glide Cross Docking). You can only do one type of docking with this script (i.e., choosing XP or SP), so you'd have to run a separate job to get both the XP and the SP GlideScores. You can run the script from the command line as well as Maestro.

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