If you’re interested in comparing polymorphic systems based on their hydrogen bonding networks, and want to understand how to calculate and visualise which hydrogen bonds are likely to form and how hydrogen bonding networks are ranked, then this free, 90-minute, hands-on workshop is for you!
What we’ll cover
We will focus on the updated Hydrogen Bond Propensity tool from CSD-Materials to study the hydrogen bond network in a crystal structure and how it ranks compared to putative networks. We will also see how to complement this analysis using Full Interaction Maps (FIMs).
We will have hands-on activities to teach you how to use the desktop molecular visualizer software Mercury for:
- Visualizing hydrogen bonds effectively.
- Calculating Hydrogen Bond Propensity and interpreting the results.
- Complementing this analysis using FIMs.
The tutors hosting the event have developed these tools for solid form analysis alongside experts from major pharmaceutical companies and academia.
The workshop will be recorded and all registered participants will have access to the recording.