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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 do: module add ccdc/year (e.g. ccdc/2017):

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 Windows

Users of managed workstations in the Department of Chemistry have the option of installing the CSD through WPKG. Instructions are also given below for installing the CSD under Windows.

  • Download the installer from here (4.6GB) and unzip the file to another directory.
  • Read the release notes here.
  • Navigate to the directory you extracted the zip file to and right click on "csds-windows.exe". 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".

OS X

  • Download the installer from here and move it to a convenient location e.g. the Desktop.
  • Read the release notes here.
  • 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.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".

Linux

  • 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".

Should you also desire IsoStar Server, run IsoStar-2.2.5-linux-installer.run.
Isostar installation screenshot

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. Probably the easiest way to access it is via the Help menu in the individual apps.

Admin notes: 

When installing this on linux the gold binary needs to be replaced by a wrapper script that checks the existence of "$HOME/csd_licence.dat" and if it's not there prompts the user to start up mercury and register the software, which will then create their "$HOME/csd_licence.dat". There is also a central licence file, /usr/local/shared/csd/CSD_2018/csd/csd_licence.dat, which needs to contain our site id and confirmation code so that the user's registration process has access to that data.

GoldSuite_2017/c_linux-64/bin/qt.conf copied from previous year enabled the Hermes/Gold front-end to display on local Ubuntu 16.04 machines.

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