Virtual Workshop: How Crystal Structure Affects Particle Behaviour
Tuesday, 16th April, 1–2:45pm (BST)
In silico digital design methods are becoming more popular as tools to anticipate manufacturing and processing bottlenecks before they occur. Particle Informatics tools enable the wealth of data in the Cambridge Structural Database (CSD) to be used to provide insight into the surface chemistry and topology of crystal facets, and to explore structural features that are important to mechanical properties.
What we will cover
In this virtual workshop, we will provide an overview of the functionality available in the CSD-Particle suite, focusing on tools for particle surface analysis. The presentation will include live demonstrations from our expert tutors.
We will also have hands-on activities to teach you how to use the desktop molecular visualizer software, Mercury, for:
- Identification and analysis of potential slip planes.
- Surface analysis.
- Calculation of Full Interaction Maps on surfaces.
The tutors hosting the event have developed these tools for particle analysis alongside experts from major pharmaceutical companies and academia. Come and join us to learn how you can best use Mercury and CSD-Particle in your workflows.
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-Particle.
All academic licenses include CSD-Particle. If you are unsure whether your institution already has a license, please get in touch with us.
If you do not have access to CSD-Particle, 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 the tools from the new CSD-Particle suite to visualize and analyse surface properties in the context of particles.
Familiarity with Mercury and Full Interaction Maps (FIMs) would be ideal. If you have not used Mercury or FIMs before, we would recommend the following modules from our on-demand CSDU courses:
- Visualisation 101 – Visualising structural chemistry data with Mercury.
- Analysing intermolecular interactions 101 – Full Interaction Maps.
Who should attend?
- Formulation scientists.
- Research scientists concerned with particle behaviour.
- PhD and post-doc researchers interested in chemical and mechanical particle properties.
- Commercial scientists concerned with the formulation and processing of crystalline products.
- Scientists involved in manufacturing crystalline products, looking to reduce bottlenecks and predict processing issues earlier.
If you have any questions, feel free to email: hello@ccdc.cam.ac.uk. We’re happy to help.