Cambridge Structural Database (CSD) System (2008)

Cambridge Structural Database is a repository of small molecule crystal structures (around 420,000 organic and metail-organic compounds). CSD system comprises of several graphical-user-interface (Conquest) and analysis tools (mercury, mogul) in addition to the database.

The current CSD system includes, ConQuest 1.10, Mercury CSD 2.0, Vista, Mogul 1.1.2, PreQuest and the database.

Interaction with CSD is usually via the following GUIs: ConQuest, Mercury, Mogul. To start any of the GUI, do the following.

• Version: 5.29
• Availability: tork.ncifcrf.gov, Small Blade Center
• Home Directory: /opt/nasapps/proprietary/CSD-529
• How to use CSD system?

   1) Make sure the DISPLAY variable set to local host
      For ex.,
         ssh -Y tork.ncifcrf.gov
   2) source /opt/nasapps/proprietary/CSD-529/cshrc
   3) cq   // cq refers to conquest
       or
      mercury // (for Mercury)
       or
      mogul   // (for Mogul)
  

• Contact Info: foleyd@ncifcrf.gov sravi@ncifcrf.gov