Virtual Workshop: In-Depth Comparison of Polymorphic Structures Using Mercury
Tuesday, 14th May, 10–11:45am (BST)
This workshop will focus on how to combine different functionalities available in Mercury in order to analyse polymorphic structures and assess their stability. Our expert tutors will present and demonstrate examples using tools such as the Mogul Geometry Check, Hydrogen bond statistics, Hydrogen bond propensities, the Aromatics analyser, molecule and structure overlay tools and Full Interaction Maps (FIMs).
We will have hands-on activities to teach you how to use these functionalities 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’ll need access to CSD-Materials. All academic licenses include CSD-Materials. 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 more about updating the software here.
Entry requirements
This workshop is open to everyone who wants to learn hands-on, how to use Mercury to assess polymorphic forms.
Familiarity with navigating Mercury, Mogul and calculating FIMs would be ideal. If you have not used Mercury, Mogul or FIMs before, we would recommend the following modules from our free online training courses in our CSDU platform:
- Visualisation 101 – Visualising structural chemistry data with Mercury.
- Analysing molecular geometries 101 – Basics of Mogul.
- Analysing intermolecular interactions 101 – Full Interaction Maps.
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 email: hello@ccdc.cam.ac.uk. We’re happy to help.