Virtual Workshop: Advanced Mercury Functionality to Assess and Compare Crystal Structures
Tuesday, 14th April at 15:30-17:15 BST
In this virtual workshop, we will look at sophisticated functionality in the CCDC’s software Mercury designed to analyse crystal structures and assess their stability, and how combining these tools can lead to a deeper understanding.
The main focus will be on Mogul, for conformational analysis, and Aromatics analiser. Other tools for structural assessment and comparison will also be introduced.
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
- How to use the desktop molecular visualizer software Mercury for solid form assessment.
- How to run a Mogul geometry check and interpret the results obtained.
- How to run the Aromatics Analyser tool to visualise aromatic interactions and how to assess the strength of aromatic interactions in a crystal structure.
- Which other functionality is available in Mercury for comparing crystal structures.
- How you can best use functionality from Mercury in your workflows.
We will have hands-on activities to teach you how to use such functionality on your structures and structures in the CSD.
The workshop will be recorded, and all registered participants will have access to the recording.
Software requirements
As this is an interactive workshop, you will need Mercury installed and activated with a valid CSD licence (full academic licence, CSD-Materials or CSD-Enterprise).
All academic licences include the full range of features covered in this workshop. If you are unsure whether your institution already has a licence, please contact us via the form on the Contact Us webpage.
If you already have the CSD installed, please ensure you are using the most up-to-date version of the software. Click here for more information.
Entry requirements
This workshop is open to everyone who wants to learn hands-on how to use Mercury to assess solid form.
Familiarity with navigating Mercury would be ideal. If you have no prior experience with Mercury, you may find the following course helpful: Visualisation 101 – Visualising structural chemistry data with Mercury.
Who should attend?
- Structural and formulation scientists.
- Research scientists concerned with structural stability.
- PhD and post-doc researchers interested in polymorphism and crystal engineering.
- Solid form scientists working in the pharmaceutical and agrochemical industries.
- Scientists involved in polymorph assessments.
- Academic and industrial chemists interested in exploring molecules in the solid form.
- 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 contact us. We are happy to help.