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Explore our structural chemistry software here, to support research in drug discovery, particle behaviour, solid form analysis and functional materials design, all using the world’s largest crystal structure database: the Cambridge Structural Database (CSD).
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CCDC > Webinar: New Prototype Python Scripts for Hydrogen Bond Propensity, Interaction Analysis, and Void Network

Webinar: New Prototype Python Scripts for Hydrogen Bond Propensity, Interaction Analysis, and Void Network

Date of Event

22 January 2026

Discover new Mercury tools that enhance structural analysis and provide valuable insights.

Thursday, 22nd January, 16:00 (GMT) 11:00 (EST)

During this webinar, we’ll explore three scripts originally developed for the Crystal Form Consortium (CFC) and now available to everyone in our latest software release (November 2025). These scripts are included in Mercury 2025.3 and offer new ways to analyse structures and predict interactions.

High Z Prime HBP: this functionality allows users to perform hydrogen bond propensity (HBP) analysis on structures with variable numbers of molecules in the asymmetric unit (varied Z′) and compare polymorph families. The script can be applied to: a folder of structures, a structure file containing one or more structures, or a single structure in the Mercury window.
Interaction Analysis: by identifying functional groups in the structure within the Mercury window and leveraging the Cambridge Structural Database (CSD), this script predicts which molecules are most likely to co-crystallize with your molecule of interest.
Void Network: this tool builds on the existing display functionality, allowing you to explore structures in Mercury in greater detail.

Register