School of Chemical Sciences University Of Illinois computing@scs.uiuc.edu
   SCS Computing Networking Electronics Staff

Cambridge Structural Database

The Cambridge Structural Database has been updated to version v5.25 and the interface to it, ConQuest was updated to version 1.6. It offers 298,097 structures.

In order to start ConQuest, the new interface for CSD, type the following commands on polaris from your home directory:

% source /apps3/csd/.setcsd
% cq
ConQuest 1.2 is able to generate PDF files for viewing or printing entries from the CSD (including 2D diagrams). You can save your search as a PDF file. We recommend you use the locally installed AcroRead program to open, view and print the pdf files written by ConQuest.

To use the old style interface for quest, do the following:

% source /apps3/csd/.setcsd
% questv5 -j jobname
> term x
> menu
You will be prompted to "Click On The Window" to begin.

Exiting CSD

It is very important that when you are finished using CSD, you exit properly.Use the mouse and select the EXIT from the lower right hand corner of the window. You will be returned to your shell.


Automating Your CSD Startup

Because typing in the source command each time you want to run CSD can become tedious, you can set up an alias command to do this each time you wish to run CSD. You may create or edit your current .alias file using your favorite editor (emacs, pico, vi). Included below are the vi commands used to add an alias for CSD.

% vi .alias
G
A<enter>
alias sq source /apps3/csd/.setcsd
:wq

Once you have added this line to your .alias file, it is necessary to add a line to your .login file that lets the computer know where your aliases are kept. Use your favorite editor and add the following line to the end of your .login file (provided this line does not already exsist):

source ~/.alias

Please Note: Once you have made these changes you must reinitalize your login environment. To do this you may either logout and login, or type % source ~/.login. From now on you can invoke CSD by typing:

% sq
% quest myjob
> term x
> menu