Virtual Workshop: Advanced Functionality for Visualization and Analysis of Structures in Mercury
Tuesday, 30th April, 4–5:45pm (BST)
During this virtual workshop we will focus on tools from the CSD Software that are designed to enhance and assist in the visualization and analysis of structural data. In particular, we will give you some tips and tricks for using a range of functionalities in our desktop molecular visualization software, Mercury.
We will also have hands-on activities to teach you how to use a range of Mercury functionalities including:
- Conformer generator, for generating plausible conformers of compounds of interest.
- Structure and molecule overlay, for comparing crystal structure packing, molecular conformations and stereochemistry.
- Applications of the new disorder visualization feature.
- Visualization of a slice of the crystal packing along BFDH planes.
- CSD Python API menu — no need for coding with the pre-loaded functionality.
- And even more tips and tricks for using Mercury!
The workshop will be recorded and all registered participants will have access to the recording.
Software requirements
As this is an interactive workshop, to complete the hands-on part you’ll need access to the functionality in Mercury accessible with a CSD-Materials or CSD-Discovery or CSD-Enterprise license.
All academic licenses give you access to the full range of features covered in this workshop. If you are unsure whether your institution already has a license, please get in touch with us.
If you do not have access to the CSD, we can provide you with a temporary licence. When you register below, please check “No” to the question: “Do you or your institution have a current full CSD licence?” and we’ll get you set up.
If you have already got the CSD installed, you will need to check that you have the most up to date version of the software. Learn how to update the software here.
Entry requirements
This workshop is open to everyone who wants to learn hands-on how to use Mercury to visualize and analyse structures — from beginners to experienced users.
Familiarity with the basics of Mercury would be ideal. If you have not used Mercury before, we would recommend the following module from our on-demand CSDU courses:
Who should attend?
- Crystallographers and structural scientists.
- Academic and industrial chemists interested in exploring molecules in the solid form.
- PhD and post-doc researchers in the field of crystallography and materials science.
- Researchers and scientists who work with the CSD or their own structural databases.
- Industrial scientists using structural informatics to design new materials.
- Educators looking to incorporate the CSD into their teaching.
If you have any questions, feel free to email: hello@ccdc.cam.ac.uk. We’re happy to help.