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The Cambridge Structural Database System - the world repository of small molecule crystal structures. The Cambridge Structural Database (CSD) is the central focus of the CSD System, which also comprises software for database access, structure visualisation and data analysis, and structural knowledge bases derived from the CSD.

Availability: 

All managed Linux workstations and all managed Windows computers.

Also available on Managed Cluster Service computers across the University, including in Colleges.

Source

https://www.ccdc.cam.ac.uk/

Instructions for users: 

For managed Linux computers

To make the programs available type module add ccdc/year (e.g. ccdc/2019):

Start ConQuest by typing cq, Mercury by typing mercury, Mogul by typing mogul, and Gold by typing gold.

If you use results derived from CSD in a publication you must cite it as described at http://www.ccdc.cam.ac.uk/products/csd/references/.

We've had reports of strange behaviour (vanishing text or pictures, things being transparent that should not be) when displaying the Mercury application remotely by X forwarding. This is fixed by starting it as mercury -mesa (thanks to Alston for finding the fix).

For managed Windows computers

Users of managed workstations in the Department of Chemistry have the option of installing the CSD through WPKG.

For unmanaged Windows computers

  • Download the installer from here (8.5 Gb) and unzip the file to another directory.
  • Read the release notes here.
  • Navigate to the directory in which you extracted the zip file to and right click on "csds-windows". Then click on "Run as administrator".
  • The wizard will then guide you through the installation steps. You may choose Registration during installation or after installation.
  • For both registration options, click this link for the required information.
    CSD installation screenshot
  • Attempt to run one of the CSD applications. If you chose to register after installation you will be presented with a product registration window. Enter the Site Number and Confirm Code, then click "Register Online".

For unmanaged OS X computers

  • Download the installer from here and move it to a convenient location e.g. the Desktop.
  • Read the release notes here. Open the .dmg file to show the package installer icon (box & arrow).
  • Double-click the installer file "csds-osx". You may choose Registration during installation or after installation.
    For both registration options, click this link for the required information.
  • Attempt to run one of the CSD applications. If you chose to register after installation you will be presented with a product registration window. Enter the Site Number and Confirm Code, then click "Register Online".

For unmanaged Linux computers

  • Download the installer from here (4.6G).
  • Read the Release and Installation notes here.
  • Untar the installer, then run "csds-linux-x64.run" as root.
  • Click through, accepting the defaults, or modifying to your needs. You may choose Registration during installation or after installation. For both registration options, click this link for the required information.
  • Attempt to run one of the CSD applications. If you chose to register after installation you will be presented with a product registration window. Enter the Site Number and Confirm Code, then click "Register Online".

Please refer to the CCDC dicumentation page for IsoStar Client and contact CCDC Support if you believe you need access to the IsoStar Server software, for which a server installer is available for in-house use, but CCDC would recommend you use their public IsoStar Server.

CSD-System Data & Software Updates

If you have installed the CSD-System yourself following our notes above (i.e. you do not run the software from a Linux environment module or on a Windows desktop where it is installed by WPKG) you can download interim software and data updates during the annual release cycle (approximately every 3 months) from https://www.ccdc.cam.ac.uk/support-and-resources/downloads to keep your software and copy of the CSD database more current between each major release of the CSD System.
 

 

Licence Details: 

This is proprietary software. The Department has a site licence.

Documentation: 

Extensive HTML and PDF documentation is available, including tutorials and worked examples. The CCDC Support pages have been thoroughly remodelled and include a knowledgebase derived from product questions & answers.

Admin notes: 

From 2019, the central licence file /usr/local/shared/csd/CSD_2019/csd/csd_licence.dat now regulates use of GOLD, Hermes, etc. products under the new DiscoverySuite banner.

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