• 2018 CSD Release: Ellipsoids and data mining

    It’s beginning to look a lot like Christmas and that means it must be time for the annual CSD Release! The 2018 CSD Release is indeed now available for download from the CCDC website – do fetch the new installers if you haven’t done so already. This year’s release includes a range of improvements in the software as well as the data based on your feedback over the year, including one improvement that has been very frequently asked about in recent years.

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  • WebCSD v2 developing even further

    We are excited to announce a range of new features that have been introduced to WebCSD v2 – unit cell search, similarity search and query highlighting.

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  • WebCSD v2 - Structure search is now even more accessible

    We are very pleased to announce the launch of new searching functionality within our CSD web interface for CSD licenced users.

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  • Phase identification made easier with the CSD and HighScore

    Analysis of powder samples in both research and industrial contexts frequently involves studying complex multi-phase mixtures. The phase identification of these kinds of samples has now been made easier by a seamless integration of the world’s repository for small molecule organic and metal-organic crystal structures (the CSD).

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  • Simple 3D Printing from a Crystal Structure

    For those of you that have never tried to design and produce a 3D printed model of a chemical structure, start now! It’s surprisingly addictive, a lot of fun, and genuinely quite useful if you are looking for ideas to expand or improve your science communication whether that is in a public outreach setting, in education or in research. If you have already started 3D printing chemical structures, then I’m probably preaching to the converted, but the rest of this post may still give you some new ideas.

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  • 2017 CSD Release: Better than Ever

    The 2017 CSD Release is now available for download from the CCDC website – if you haven’t already installed it, then hopefully this post will persuade you to do so right away! There is a whole range of improvements this year, both within the database itself and the software, but the overarching focus has been on improving the usability of the system based on feedback from you – our user community.

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  • The Winning #CSD3DPrint Model!

    If you’ve been following the CCDC on Twitter this year, you probably already know that we’ve been running our second annual #CSD3DPrint Twitter competition this summer and this contest officially ended on Thursday September the 22nd.

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  • Erice International Crystallography School 2016

    The CCDC is very pleased to have been able to once again support the International School of Crystallography based in Erice, Sicily. This annual school draws together crystallographic experts from around the world, as well as a large collection of international graduate and post-graduate students, to learn about specific areas of crystallography. The 2016 edition of the school was entitled “High-pressure crystallography: status artis and emerging opportunities”. It was co-directed by Francesca Fabbiani (University of Göttingen), John Parise (Stony Brook University) and Malcolm Guthrie (European Spallation Source, Lund). It brought together an excellent selection of the leading scientists in the field alongside exciting emerging researchers to provide the attendees with a superb overview of the field. Focal areas were pharmaceuticals, geology, methodology, and first principles of high pressure crystallography.

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  • 3D Printing: Easy as 1, 2, 3!

    You may have noticed from our Facebook page that one of the great talking points at our booths at the recent ACA and ACS conferences was just how useful 3D printing has become. It has certainly created a stir in the CSD user community. Creating an experimentally accurate 3D printed molecule of any part of your crystal structure is now easy with the latest version of CSD-System (Mercury).  To illustrate just how straightforward 3D printing from Mercury is – I recently used the following steps to produce a model of one of my own structures. Here’s how…

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  • Launching CSD-System Summer 2015: Visualisation & Connectivity Enhancements

    ​We’re delighted to launch a major update to CSD-System which will revolutionise both the communication of structural science as well as the way that innovative research and analysis are performed using CSD data.

    Scientific communication can be tricky and particularly so when the science being communicated features 3D concepts such as molecular geometries and intermolecular interactions. Recent user feedback about how we can help your scientific communication has resulted in significant enhancements to Mercury, our crystal structure visualisation program.

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