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Blog database

  1. We're research scientists and experts in crystallography and materials science at CCDC and the University of Notre Dame: Ask us anything!

    Ashley Moreno – Thu, 07 Apr 2022 17:22:00 GMT

    The U.S. National Committee for Crystallography (USNC/Cr) of the National Academies of Sciences, Engineering, and Medicine is providing an online workshop series for students and researchers on the use, development, and maintenance of crystallographic and structural databases. CCDC is excited to present a two-day session at the event about the Cambridge Structural Database! To celebrate, we’re hosting a live AMA (ask me anything) via Twitter with the CCDC session host, Dr Jeff Lengyel, and departmental crystallographer at the University of Notre Dame, Dr Allen Oliver.

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  2. How to use the new Subsets in the 2021.3 CSD Release to improve your structural science research

    Ashley Moreno – Mon, 06 Dec 2021 12:00:00 GMT

    In the 2021.3 release, we launched four new subsets: Electron Diffraction, Polymorphs, Hydrates, and High Pressure. We're also updating the navigation and API access to all CSD Subsets. In this blog, we look at real-world use cases for the new CSD Subsets and tips for making the most of the new functionalities.

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  3. CSD data update 2021.3 - December 2021

    Seth Wiggin – Mon, 06 Dec 2021 12:00:00 GMT

    We are pleased to announce the launch of the 2021.3 CSD Data Release containing 1,161,919 entries and 1,138,368 unique structures. Here we explore the data changes over this year.

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  4. Our approach to the FAIR Data Principles

    Sophie Bryant – Tue, 28 Sep 2021 16:57:00 GMT

    The FAIR Data Principles stand for findability, accessibility, interoperability, and reusability of data for both humans and machines. Here we highlight a few ways CCDC supports the FAIR Data Principles.

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  5. CSD in Action: achieving the largest possible mobility of organic semiconductors

    Ioana Sovago – Fri, 17 Sep 2021 19:17:00 GMT

    Here we highlight a paper by researchers at the University of Liverpool and Università di Siena who used the Cambridge Structural Database (CSD) to identify a set of promising compounds for use in semiconductors and a new tool for discovering materials with electronic properties. This is part of our series highlighting examples of​​ the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.

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  6. CSD Data update September 2021

    Paul McKeown – Wed, 08 Sep 2021 13:08:00 GMT

    We are pleased to announce the September 2021 data update of the Cambridge Structural Database (CSD) is now available!  This data update brings you 16,688 new organic and metal-organic experimentally determined structures (17,283 new entries) and increases the total size of the CSD to over 1,129,000 structures (1,152,000 entries).

     

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  7. Behind the scenes of the CSP Blind Test

    Lily Hunnisett – Tue, 24 Aug 2021 17:11:00 GMT

    How many groups took part in the first challenge of the 7th CSP Blind Test? What kind of experimental work goes on behind the scenes? Read on for answers, and an interesting Q&A with a team from Catalent. Catalent is a development and manufacturing partner that has provided the high-quality experimental data for this test of crystal structure prediction (CSP) methods.

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  8. Happy 50th anniversary to our friends at the PDB!

    Ashley Moreno – Fri, 13 Aug 2021 14:39:00 GMT

    This year the CCDC and the Protein Data Bank (PDB) are hosting a day-long symposium at the American Chemical Society’s (ACS) Fall 2021 meeting. The conference theme is “the resiliency of chemistry,” and our symposium focuses on understanding enzyme function in 3D.

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  9. Will electron diffraction revolutionize drug development?

    Ashley Moreno – Wed, 28 Jul 2021 14:42:00 GMT

    Q&A with Dr Jessica Bruhn, Scientific Group Leader - MicroED at NanoImaging Services about a new advancement in drug development

    Microcrystal electron diffraction (MicroED or 3D ED) uses a beam of electrons rather than X-rays to obtain structures. In a recent paper, a team of researchers led by NanoImaging Services presented a new advancement in drug development using electron diffraction for when X-ray diffraction (XRD) may not be an option. In this blog, we talk with author Dr Jessica Bruhn, Scientific Group Leader - MicroED at NanoImaging Services about the team’s findings.

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  10. Celebrating 10 years of Structure Factors at the CCDC

    Natalie Johnson – Mon, 28 Jun 2021 14:09:00 GMT

    This month marks 10 years since the CCDC began formally accepting experimental structure factor data alongside crystallographic information files (CIFs) for deposition of structures to the CSD. The change came about following the lead and advice of the International Union of Crystallography (IUCr), whose journals have long required authors to provide structure factor data for published crystal structures. Structure factors, as well as other experimental information, are important as they can be used to describe the distribution of electron density in the structure and enable users to further validate a structural model. This also helps make your data more FAIR (Findable, Accessible, Interoperable and Reusable). 

    Continue reading…

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