2023 CSD Releases
Here you can find the CSD data updates and software releases from 2023.
For the most current release check the What's New page.
Data Release (November 2023). New and Improved Cambridge Structural Database.
We are pleased to announce a new version of the entire Cambridge Structural Database (CSD) (moving from CSD version 5.44 to 5.45) is now available adding 10,837 structures (11,411 new entries). This takes the total size of the database to 1,254,560 structures (1,284,316 entries).
This full release includes improvements to existing entries and new entries. It also means the knowledge bases such as Mogul and IsoStar have been updated.
These new structures further expand our knowledge of chemistry and its applications in materials science, drug development, and catalysis. See the blog for examples of the new additions.
How to Get the 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), 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 our FAQ for more details and other options.
Please contact our support team if you have any questions about updating.
2023.3 CSD Software Update (November 2023)
This release includes new CSD-Discovery improvements and CSD-Materials API coverage.
New functionality includes:
The torsions sampled by GOLD during docking have been improved including re-built and enhanced torsion distributions using latest Cambridge Structural Database (CSD) and Mogul knowledge. SMARTS can be used to define torsion patterns.
CSD-Materials API Extensions. To support solid-form reporting and research, this update extends the CSD Python API to cover more of the CSD-Materials suite, including parts of the Solvate Analyser and Hydrate Analyser components, plus improvements to Hydrogen Bond Propensity, and Hydrogen Bond Statistics in the CSD Python API.
Small, impactful usability improvements to CSD-CrossMiner.
mmCIF compatibility for CSD-Discovery tools.
How to Get the Software Update
For this release, users will need to perform an update if they have installed the 2023.1 release, or if this is their first time installing CSD software, a full software and data install from the CCDC Downloads page.
If you have any questions or need any help with these updates, please contact our support team.
Data Release (September 2023). To 1.25M and Beyond.
We are pleased to announce the release of the September 2023 data update of the Cambridge Structural Database (CSD). The update adds 13,367 new experimentally determined structures (14,166 new entries) and increases the total size of the CSD to well over 1.25 million.
These new structures further expands our knowledge of chemistry and its applications in materials science, drug development, and catalysis. See the blog for examples of the new additions.
For users with the latest 2023.2 version of the software (or earlier 2023.1 version), all available software or data updates can be applied by using the CCDC maintenance tool in the installation and selecting the ‘Update components option’. The CSD software suites also have a built-in auto-update mechanism that makes updating the data and software easy and will also notify you if an update is available.
If you are using a previous software (version 2022.3 or earlier), you will need to install the software from Downloads - The Cambridge Crystallographic Data Centre (CCDC) , and this download will contain the latest data update.
If you have problems installing the update, see our FAQ for more details and other options.
Please contact our support team if you have any questions about updating.
2023.2 CSD Software Update (July 2023)
This software update includes:
New MOFs Functionality. The new Pore Analyser component available in Mercury and the CSD Python API provides additional information on void volume, surface area and porosity for researchers investigating porous materials.
Disorder Improvements. This update improves the way that we handle disordered structures when loading CIFs into CCDC software including visualizing the different disorder models and visualizing the contacts and voids for each disorder model.
CSD Landscape Generator is now available outside of CSD-Theory as a stand-alone add-on (free for academics with a CSD-Enterprise licence).
CSD Conformer Generator is now available as a stand-alone add-on for non-academic organizations.
Small, impactful usability improvements to GOLD.
How to Get the Software Update
Information on how to get the update 2023.2 is available here. For this release, users will need to perform an update if they have installed the 2023.1 release. If this is their first time installing CSD software, or if they are using the 2022.3 version (or any other versions before that), a full software and data install is required. For the full install, please follow this link.
On-Site WebCSD Update (July 2023)
This latest update brings access to new Landscape Search functionality to your On-Site WebCSD portal with CSD-Theory.
As part of on-going CSD-Theory development, the new functionality allows users to search for structures within Crystal Structure Prediction (CSP) landscapes.
To access this new functionality, your installation admin will need to follow the update process for On-Site WebCSD that was introduced in Q4 2022.
If you have questions or need support in setting up or using any of these features, contact our technical support team here.
Data Release (June 2023) - Thousands of New Structures Added to the CSD
We are pleased to announce the release of the June 2023 data update of the Cambridge Structural Database (CSD). This data update delivers 16,068 new experimentally determined structures (16,798 new entries) to our desktop software.
With the addition of 16,000 new structures, this data update has structural chemistry information that appeals to a wide range of disciplines as outlined in the blog ‘Thousands of New Structures Added to the CSD – The Summer 2023 Data Update‘
For users with the latest 2023.1 version of the software, all available software or data updates can be applied by using the CCDC maintenance tool in the installation and selecting the ‘Update components option’. The CSD software suites also have a built-in auto-update mechanism that makes updating the data and software easy and will also notify you if an update is available.
If you are using a previous software (version 2022.3 or earlier), you will need to install the software from Downloads - The Cambridge Crystallographic Data Centre (CCDC) , and this download will contain the latest data update.
If you have problems installing the update, see our FAQ for more details and other options.
Please contact our support team if you have any questions about updating.
On-Site WebCSD Update (May 2023)
This latest update brings access to macromolecule data from the Protein Data Bank (PDB) to your On-Site WebCSD portal, as well as updates to login security and structure editing.
If you have On-Site WebCSD and a CSD-Discovery licence, you will now be able to purchase an add on that enables you to search and mine protein binding site data from the PDB alongside small molecule data from the CSD, and your internal databases in one secure, online platform.
This new functionality is part of Macromolecule Hub, our new product to bring you even greater access to all types of structural data. Access is still behind your company firewall in a secure manner.
You can now also secure your On-Site WebCSD login, with the option to use Single Sign On (SSO) or Lightweight Directory Access Protocol (LDAP).
Finally, you are now able to add and edit user details in bulk.
To access this new functionality, your installation admin will need to follow the update process for On-Site WebCSD that was introduced in Q4 2022.
If you have questions or need support in setting up or using any of these features, contact our technical support team here.
2023.1 CSD Software and Data Release (April 2023)
This is a full uninstall/reinstall release.
Software Update
This software update includes a host of interoperability improvements to existing features including InChIs in the Cambridge Structural Database, stereochemistry search, and ChemDraw export.
Read more in the Interoperability Improvements blog.
How to Get the Software Update
This release also includes a new desktop installer. After this install you will no longer need a full uninstall and reinstall to obtain these updates.
The new installer allows you to only download and install what you need rather than updating all the CCDC software and data in one go. This results in a much smaller size installer.
Once installed, you can update individual products and data separately as new versions become available, without the need for admin rights to your computer.
The new installer can be found here. You can also watch the new installation video.
CSD Data Update
This data update brings the total size of the CSD to 1,241,941 entries and 1,214,288 unique structures. The latest addition of over 75,000 structures further expands and diversifies our knowledge in chemistry and its applications. There is also an update on our ongoing investigations that have been carried out on structures associated with a pre-print on papermills in crystallography with 209 structures retracted from the CSD. Learn more about the April 2023 CSD data update in our blog here.
To get the latest data updates, simply install the 2023.1 CSD release using the new installer. If you don’t happen to install the data to begin with, you can use the new CCDC Maintenance Tool that you can launch from the CCDC installation folder to update your installation with the latest data. Please contact our support team if you have any questions about updating.
If you have problems installing the update, see our FAQ for more details and other options.