We are excited to soon be making a big change that will transform the way that the structures in the CSD that contain disorder can be visualised and used with CCDC tools. This update (coming soon in the 2025.1 release) will bring validated disorder models to many existing structures in the CSD, as well as for new structures as they are deposited.
The different disordered assemblies will be easily visualized, with the ability to switch between them, and use these different models with key features of Mercury. These improvements are essential in understanding the role that disorder has within crystal structures and the consequent effect this has on structural properties. It will therefore help to generate new insights into the solid state.
This webinar will provide an introduction and sneak peek into how disorder will be visualized and used with CCDC tools following the 2025.1 update, as well as an overview of several tools that have recently been improved to handle disorder.
The different disordered assemblies will be easily visualized, with the ability to switch between them, and use these different models with key features of Mercury. These improvements are essential in understanding the role that disorder has within crystal structures and the consequent effect this has on structural properties. It will therefore help to generate new insights into the solid state.
This webinar will provide an introduction and sneak peek into how disorder will be visualized and used with CCDC tools following the 2025.1 update, as well as an overview of several tools that have recently been improved to handle disorder.
You will learn:
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Where to find the disorder toolbar and how to visualize disorder.
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How disorder is handled in Hydrogen Bond Propensity calculations and in Hydrogen Bond Statistics.
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How to use VisualHabit to calculate the energy of different disorder components and show differences in synthon energies.
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How Surface Analysis results may change if disorder is present.
Who should attend:
- Crystallographers
- Solid form scientists in academia or industry
- Researchers with an interest into surface/particle properties ranging from morphology to surface chemistry
