What's New?

This update brings 14,415 new experimentally determined structures (15,351 new entries). It brings the total size of the Cambridge Structural Database to almost 1.29 million structures.

It also updates the CSD subsets (focused subsets on specific themes e.g. pharmaceuticals, pesticides, hydrates, polymorphs) and provides an additional Mogul data library for data-driven conformational analyses based on the latest data.

Learn more about the update in the blog here.

How to get the CSD data update

All available software or data updates can be applied by using the CCDC maintenance tool in the installation and selecting the Check for Updates option.

If you are using a previous software (version 2022.3 or earlier), or if this is your first time installing CSD software, you will need to install the software from the Downloads page here, and this download will contain the latest data update.

If you have problems installing the update, see this FAQ for more details and other options on installation.

Please contact our support team if you have any questions about updating.

This update unveils our new web platform, adds new structures, and brings additional security to the On-Site WebCSD portal:

• The first release of Lattice, the new web-based platform. Lattice will become the central hub bringing together our capabilities to unlock new structural science insights, all in a web browser with no need to install anything.
• A data update with nearly a year’s worth of new structures added.
• New login system, SSL by default (https://), databases are no longer stored in the docker image.

 

In addition, for CFC Members, Python prototypes will be available in a new library.

Lattice, our new web-based platform to unlock structural science insights.

How to Get the Update

On-Site WebCSD users will need to go to CCDC’s opensource GitHub repository here. The release version can be found here. From there instructions can be found in the readme on how to perform the installation or upgrade. There will be a new step to download databases. Please contact support@ccdc.cam.ac.uk to request a unique set of credentials.

This installation process only has to happen once, if you have questions or need support in setting up or using any of these features, contact our technical support team here.

This release includes enhancements to the handling of structures with internal symmetry and hydrogen addition improvements:

The Crystal Packing Similarity functionality in CSD-Materials has been improved when handling crystal structures with internal symmetry.

For structural scientists working with both small molecule and macromolecule structures, the hydrogen addition capabilities now more accurately place hydrogens in sensible locations when protonating.

How to Get the Software Update

Desktop software and data updates can be applied by using the CCDC maintenance tool in the installation folder, or by selecting the Check for Updates option in any of the desktop tools.

If you are using software version 2022.3 or earlier, or if this is your first time installing CSD software, you will need to install the software from Downloads, and this download will contain the latest data update.

If you have problems installing the update, see this FAQ for more details and other options.

Please contact our support team if you have any questions about updating.

We are pleased to announce the March 2024 data update of the Cambridge Structural Database (CSD) is now available. This data update adds 18,633 new experimentally determined structures (19,852 new entries) to the CSD and increases its total size to over 1.27 million structures (1.3 million entries).

This large collection of new structures further expands our knowledge of structural chemistry and its applications in materials science, drug development, and catalysis.

Interesting new structures include complexes with a plutonium–carbon double bond, a hexacationic imidazolium organic cage that shows promising iodine capture capability, and a biogenic crystal. Read the launch blog – Beyond 1.25 Million – The 2024 March Data Update – for more information on these structures and the other new additions.

How to Get the Software Update

All available software or data updates can be applied by using the CCDC maintenance tool in the installation and selecting the Check for Updates option.

If you are using a previous software (version 2022.3 or earlier), or if this is your first time installing CSD software, you will need to install the software from Downloads, and this download will contain the latest data update.

If you have problems installing the update, see this FAQ for more details and other options.

Please contact our support team if you have any questions about updating.

Several bug fixes following the 2023.3 release last November.

How to Get the Software Update

All available software or data updates can be applied by using the CCDC maintenance tool in the installation and selecting the Check for Updates option.

If you are using a previous software (version 2022.3 or earlier), or if this is your first time installing CSD software, you will need to install the software from Downloads, and this download will contain the latest data update.

If you have problems installing the update, see this FAQ for more details and other options.

Please contact our support team if you have any questions about updating.