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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/

Licence Details: 

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

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".
    CSD installation screenshot
  • A setup screen should appear. Click on "Complete CSD System Install".
    CSD installation screenshot
  • Once the installation has completed, click this link.
    CSD installation screenshot
  • Attempt to run one of the CSD applications, 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.
  • Read the release notes here.
  • Run the "csds-osx" app. CSD installation screenshot
  • Once the installation has completed, click this link.
  • Attempt to run one of the CSD applications, 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.run" as root. CSD installation screenshot
  • Click through accepting the defaults, or modifying to your needs.
  • Once the installation has completed, click this link.
  • Attempt to run one of the CSD applications, 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-2.2.3-linux-installer.run.
Isostar installation screenshot

 

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: 

For the linux module, gold is replaced by a wrapper script that checks the existence of "$HOME/.csd_licence.dat". The easiest way to activate/register CSD is to launch mercury.

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