• Developing data discovery

    We are pleased to announce that a new pre-release version of our popular Access Structures service is now available. This free service has enhanced search functionality and interim results pages to help you find, access and navigate to the structures you want.

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  • Notes from the ACA

    This summer the CCDC was proud to award our first ACA Student Travel Award to graduate student Madushani Dharmarwardana of the University of Texas at Dallas.  Madushani was able to present her work in a talk in the prestigious Etter Early Career session.  She wrote this post for our CCDC blog sharing some of her experiences at the American Crystallographic Association’s annual meeting in Denver.

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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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  • Announcing the 2nd Annual CSD 3D Printing Contest

    At the CCDC we’ve been investigating ways to bring chemistry to life by printing 3D models from crystal structure coordinates.  These hand-held molecules make engaging with science and research more fun.  They’re useful in the classroom as teaching aids and they also make excellent gifts!  So, today we are pleased to announce our 2nd Annual #CSD3DPrint Twitter Contest.

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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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  • IUCr-UNESCO Bruker OpenLab Uruguay

    The CCDC was proud to support the IUCr-UNESCO Bruker OpenLab recently held in Uruguay by supplying tutorials and trial licenses to the participants.  Workshop organizer Natalia Alvarez writes this guest blog detailing the OpenLab.

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  • New Communications with the New CSD

    Cambridge Structural Database Data and Software Update

    Spring is upon us (at least in the Northern Hemisphere) and with it comes, today, the release of the first 2016 update of the Cambridge Structural Database (CSD). There are new data and updated functionality in the new release, to brighten everything up.

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  • Imperfect Symmetry

    As part of my postdoc at the University of Edinburgh, under the supervision of Dr Stephen Moggach and Prof Simon Parsons, I was fortunate enough to be able to spend a month in Cambridge working in the Materials Science team at the CCDC. The aim of my placement, in November 2015, was to use the new CSD Python API to calculate continuous shape measures for metal polyhedra in the CSD.

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  • Getting your Compounds in Shape

    & Maria Brandl

    We know that most pharmaceutically relevant compounds bind to their targets in a relaxed conformation. The challenge in discovery is to figure out rapidly which conformations are readily accessible for the molecules we are considering. There is now a new solution to address this based on statistical, rather than just energetic approaches.

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  • Crystallography in East and West Africa

    I have been very fortunate this autumn to visit two markedly different African countries, Kenya and Senegal, on behalf of the CCDC. My first visit was to Nairobi, where Dr Lewis Whitehead of Novartis and I presented a week-long Kongamano: a series of lectures and workshops on crystallographic databases, featuring the Cambridge Structural Database (CSD), and in-silico visualization and modelling applications in drug discovery.

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