• 2015 version of the Cambridge Structural Database (CSD) System released!

    We are delighted to announce that the 2015 version of the Cambridge Structural Database System has been released, providing access to over 700,000 curated structures!
     
    The new release contains several new features but most notably Full Interaction Mapping functionality within Mercury. This tool is built on top of existing CSD interaction knowledge base technology (IsoStar) and provides a very visual and interactive means of assessing and evaluating a molecule’s preferred 3D interactions both as a discrete molecule or extended crystallographic network. It can be used to study a molecule’s pattern of interaction preferences and thus aid the search for a co-former molecule that might satisfy this geometrical pattern. You can generate interaction maps for a collection of molecules such as a surface slice from a crystal or an entire simulated particle.
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  • Faster, Better Data Deposition Processes Launched

    23rd June 2014, Cambridge, UK

    The Cambridge Crystallographic Data Centre (CCDC) is excited to announce the launch of its next generation Data Deposition services. The new system has been created to make it easy and fast for chemists to deposit their structural data at the CCDC. These changes ensure that high quality, comprehensive structural data is made more readily available to the scientific community, directly from our website and through the Cambridge Structural Database (CSD).

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  • DOIs assigned to crystal structure datasets in the CSD

    THE CCDC TEAMS UP WITH DATACITE TO BRING DIGITAL OBJECT IDENTIFIERS TO THE WORLD’S COMPREHENSIVE CRYSTALLOGRAPHY DATA RESOURCE

    Cambridge, UK; March 2014

    The Cambridge Crystallographic Data Centre (CCDC) today announces an important collaboration with the DataCite (UK) team, based at the British Library, to assign Digital Object Identifiers (DOIs) to datasets of crystal structures deposited with the CCDC. This initiative enhances existing CCDC services that provide free and easy access to crystallographic data associated with any deposited structure - an invaluable resource for any scientist with an interest in structural chemistry.

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  • March CSD update is available!

    We're delighted to announce that a CSD update, containing almost 20,000 new CSD entries, has been released to CSD System subscribers. Included in this update are corresponding Mogul data libraries for new CSD entries, a new feature for 2014.

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  • CSD Statistics available for 2013!

    The CSD statistics for 2013 are now available from our website. These data include authors who have more than 500 entries in the CSD, proportion of organic to organometallic structures, number of literature sources, number of structures contributed from specific journals and much more!

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  • GOLD Suite 5.2 released!

    ​We are delighted to announce the release of GOLD Suite version 5.2 which contains new features, bug fixes and modifications.  Most notably we have made a number of improvements to Hermes' 3D display and the quality of output image files.  Full details of all changes can be found in the release notes.  Please note that users of SuperStar and Relibase+ will also need to download GOLD Suite 5.2 in order to update the version of Hermes used by these products.

     
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  • Do it yourself: an update on self-study resources

    In a previous blog Steve Carman, a Masters student at the University of Newcastle introduced worksheets he’s been working on that make use of WebCSD and the 650 or so CSD structures contained in the free teaching subset.  Steve successfully passed his Masters course, is now a CCDC-funded summer student and is continuing to develop the resources.  Here he gives us an update on the trial he carried out during his Masters project.

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  • New Architecture for CCDC Data builds Foundation for Greater Insights from Crystal Structures

    ​Cambridge, UK; May 8th 2013

    The Cambridge Crystallographic Data Centre (CCDC) announces a step-change in the way crystal structures and associated data are captured and, in the future, searched and analysed using the Cambridge Structural Database (CSD). This new architecture, CSD-Xpedite, enables the rapid growth of the CSD into the next decade and expands the opportunities for crystallographers world-wide to gain high value insights from their experimental data.

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  • Hot stuff: CSD-based co-crystal design

    We are pleased to announce that a recently published scientific communication involving researchers at the Pfizer Institute of Pharmaceutical Materials Science and CCDC has appeared as a CrystEngComm hot-article. The article summarises exciting results assessing the potential of the Mercury Solid Form Suite’s hydrogen bond propensity tool in screening potential co-crystal formers, and is available to view free of charge for 4 weeks from 20th March.

    The published study describes the co-crystal screening of the anti-malarial drug pyrimethamine with various pharmaceutically acceptable adducts. Co-crystals offer completely new physical properties compared to a pure active ingredient and are viewed as a rich source of novel solid forms in the pursuit of a stable candidate for drug or agrochemical product development.  Co-crystallising pairs of actives with different or complementary pharmacological effects is also an elegant potential route to multi-drug therapy. Developing methods to better suggest successful co-crystallisation experiments is, therefore, of great interest.
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  • Self-study resources using the free WebCSD teaching subset

    We at CCDC are keen advocates of the use of 3D structure to aid with the teaching of key chemical concepts.  Following a demo of WebCSD and existing teaching material intended for undergraduate teaching, Dr Peter Hoare at the University of Newcastle has been developing (with the help of A level and masters students) bite-size worksheets intended for A Level standard chemistry, making use of our free teaching subset and WebCSD.  Here, Peter's current MChem student Steve Carman explains a bit more about the exercises they have developed and how you can get your hands on them!

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