Virtual Workshop: Advanced Structural Visualization and Analysis of Porous Materials Using Mercury

If you are looking to improve your Mercury skills and upgrade your structure visualization and analysis tools, then this free, 90-minute, hands-on workshop is for you!

This virtual workshop will include examples of porous materials, in particular metal-organic framework (MOF) structures from the Cambridge Structural Database (CSD). Such structures have a variety of applications, including designing new energetic or magnetic materials, new catalysts, porous frameworks for gas storage and even drugs.

What we will cover

We will focus on tools from the CSD Software designed to enhance and assist the visualization and analysis of structural data. You will learn some tips and tricks for using a range of functionality in the desktop molecular visualization software Mercury, with spotlight on some of the new features. The session will include presentations and demonstrations by CCDC expert tutors and a hands-on part for you to try the software, with the tutors available to help you and answer your questions.

You will learn:

- Which subsets of the CSD are available, how to access them in ConQuest, Mercury and the CSD Python API, and how they can help you in your research.

- How to visualize porous materials effectively in Mercury.

- How to analyse pore space in your structures using Pore Analyser.

- Applications of the disorder visualization feature, including recent advances and integrations with other functionality available in Mercury.

And more Mercury tips and tricks!

The workshop will be recorded and all registered participants will have access to the recording.