I think this tool could be rather useful for those who work in the drug design and especially structure based drug design. PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites.
Main Functionalities of PocketMaster
✅ Automatic structure alignment
✅ Flexible methods for defining binding sites
✅ Support for multiple RMSD methods
✅ RMSD calculation across all atoms or only Cα atoms within the binding sites
✅ Creation of clear visualizations
✅ Saving of aligned structures and analysis results
✅ Generation of summary reports with structural and sequence differences of binding sites
✅ Choice of clustering linkage methods
✅ Customizable clustering options
Look useful, especially for me who does this very occasionally.
#SBDD #drugdesign #bioinformatics #docking
https://github.com/narek-abelyan/PocketMaster
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2October 21, 2025 1.4K 14
