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Virtual workshop: H-bonds assessment with Hydrogen Bonds Statistics in Mercury
19 October 2022 10:00-11:45
Introduction
Hydrogen bonds are important interactions for the stability of a crystal structure. Understanding hydrogen bonds is a crucial step in solid form assessment, as it allows you to investigate and identify potential stability and polymorphs risks. In this free 90-minute virtual workshop, you will learn tips and tricks to visualize hydrogen bonds in Mercury and we will then focus on how to use the Hydrogen Bond Statistics tool from CSD-Materials. This tool examines the geometry of the observed hydrogen bonds in a given structure in comparison to relevant structures in the CSD.
What we’ll cover:
Basics of hydrogen bonds visualization in Mercury (definition of donors and acceptors, visualizing H-bonds patterns and networks).
Tips and tricks for hydrogen bonds visualization.
Hydrogen bond assessment using the Hydrogen Bond Statistics tool.
The concept was built in close collaboration with our Solid Form Design Centre partners at Pfizer.
The workshop will be recorded and all registered participants will have access to the recording.
