New enhanced web interface for viewing and downloading crystal structures

We are pleased to announce the launch of our new public web interface for viewing and retrieving structures from the Cambridge Structural Database (CSD). This interface provides a rich user experience for viewing over 750,000 CSD entries found through our Get Structures service or linked to from within journal articles and external web sites and databases.

The service offers interactive 3D visualisation of structures with chemical interpretations generated by our expert editors, displayed using the splendid JSmol visualiser. This 3D visualisation allows easy identification and interactive exploration of structures. The interface also provides easy download of the deposited data in CIF format and of course allows all deposited structure factor data to be retrieved.

The CCDC assigns DOIs to all entries in the CSD and these, together with the citation details for the structure are shown on the page, making it easier for you to cite the crystallographic data. The summary page shows a 2D chemical diagram and a chemical name for the CSD entry, as well as the publication DOI allowing easy access straight to the source journal article. The new web interface also improves viewing from mobile devices.The system retrieves entries directly from our up to the minute database, giving you access to the latest published crystal structures the moment they are processed.

You can navigate to entries using the search page, where you can search for CCDC deposition numbers, publication DOI or CSD DOI. As many structures are referred to in publications and databases by a CSD REFCODE, we’ve also made this a search term.

These new search and summary pages are the first steps in a series of exciting enhancements that we are planning for our CSD web interfaces. And, of course, for our users with complex and high volume queries, we continue to provide the CSD System, which can be installed on local machines.


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Screenshot showing the layout of the new enhanced web interface for viewing and retrieving CSD entries.

I’d be very happy to hear any comments regarding this new service, by email to  support@ccdc.cam.ac.uk.