CCDC

With CSD-Particle you can anticipate manufacturing bottlenecks and guide formulation decisions with a deep understanding of particle behaviour.

Suitable for pharmaceutical or other fine chemical solid form manufacturing. Rapidly analyse chemical and mechanical properties of crystalline particles with visual and statistical tools.

Learn more and request a demonstration at https://www.ccdc.cam.ac.uk/solutions/software/csd-particle/


• Predict the particle shape by predicting which facets are available.
• Visualize surface chemistry and charge. 
• See the distribution of H-bond donors and acceptors on the surface with clear, colour-coded graphics. 
• See the potential causes of wettability, stickiness, flow, and electrostatic issues easily.
• Identify slip planes
• Determine mechanical properties and guide formulation choices to support better tabletting, flow, and milling.
• Calculate and visualize full interaction maps (FIMs) on the surface, showing the positions a given probe is most likely to interact. Change probes to explore interaction types. For example, assess hydrophilicity with the water oxygen probe, or hydrophobicity with methyl carbon.
• Explore system shape and stability, and see how internal bonding impacts surface termination and exposed groups on a given facet.
• Assess hydrogen bonding dimensionality, and how discreet, 3D, or sheet hydrogen bonding impacts the mechanical properties of your product.
• See surface roughness in clear, 3D graphics.
• Compare facets, particles, or structures easily by quantifying the density of H-bond donors, acceptors, aromatic bonds, unsatisfied H-bond donors, RMSD, surface area, rugosity, kurtosis, and skewness.

CSD-Particle — analyse particle behaviour, anticipate issues from tabletability, wettability & more

A step-by-step guide to download the full licence CSD software for structural chemistry visualization and analysis. This includes how to download and install Mercury, GOLD, CSD data, and all the other applications.

0:00 How to download and install CSD software
0:18 Downloading the CSD software
2:59 Installing the CSD software
7:38 Installing the CSD software on Linux
9:52 Getting help with the CSD

For more help on anything to do with the CSD software, check out our other videos or our FAQs: https://www.ccdc.cam.ac.uk/support-and-resources/support/

Tutorial: How to Download and Install CSD Software - full licence version

Are you the site owner or librarian for your CSD licence? Then this session is for you! On May 25, we held a Librarian Teatime event focused on our users in the Americas. The theme: Getting the most from your CSD licence. Topics included how to access and activate your CSD License, how to use the CCDC tools included with your CSD License, and how to access available support and resources to best advance your institution's science. 

Speakers 
• Welcome: Carmen Nitsche - General Manager, CCDC Inc. 
• Licensing and tools: Yinka Olatunji-Ojo - User Support Scientist 
• CSD-Materials: Jeff Lengyel - Research and Applications Scientist 
• CSD-Discovery: Vera Prytkova - Research and Applications Scientist

Follow us on social media: 
Instagram: @ccdc_cambridge https://www.instagram.com/ccdc_cambridge 
Twitter: @ccdc_cambridge https://twitter.com/ccdc_cambridge 
Facebook Cambridge Crystallographic Data Centre (CCDC): https://www.facebook.com/ccdc.cambridge

Getting the most from your CSD licence - Librarian Teatime event

In this years Science Day 2021, Jason Cole, tells us some more information about the CCDC PhD programme.

Recording from the May 2021 Science Day hosted by the CCDC (Cambridge Crystallographic Data Centre).

CCDC Science Day 2021 - About the CCDC's PhD programme

Andre Frade presents his PhD project at the CCDC Science Day 2021. The title of his presentation is: From molecular diagrams to material properties: Development of new tools and frameworks in the field of cheminformatics.

Science Day 2021-Andre Frade Development of new tools and frameworks in the field of cheminformatics

Aurelia Li, from the University of Cambridge, presents ‘Building and exploring databases of porous materials for adsorption applications’. 

Aurelia’s supervisors are, David Fairen-Jimenez (academic supervisor), and Seth Wiggin (CCDC supervisor).

Recording from the May 2021 Science Day hosted by the CCDC (Cambridge Crystallographic Data Centre).

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