Note: for faster searching time, the CSDS software has been moved to a Chemistry department computer. If you are a Haverford student or staff member and wish to use the CSDS software, please contact Rob Scarrow (firstname.lastname@example.org) for further information. (May 2003)
This page contains instructions on how to access the CSDS software from computers connected to the Haverford College computing network. Consult the on-line documentation sites listed below for instructions (including tutorials) on using the software.
The Cambridge Structural Database System is a product of the Cambridge Structure Data Center, and has been purchased by the libraries for use by students, faculty and staff at Haverford and Bryn Mawr Colleges. Currently it has been installed at Haverford College and is available to those who have an account on io.haverford.edu. Ideally, you should be also be able to use the software if you have an account on unixmail.haverford.edu, but this doesn't always work. The CSD software is also installed on a computer at Bryn Mawr College (contact Sharon Burgmayer if you are a Bryn Mawr student or staff member).
The CSD software requires X-windows graphics. This is pretty standard for unix workstations, but requires additional software for use on personal computers. Instructions for using the CSDS software have been specialized for each type of X-windows program. So you need to start by getting yourself an X-windows program to run on your PC or Mac (if you are running LINUX, then X-windows is built in, and if you are running LINUX, you are probably more computer literate than me and don't need me to tell you how to run X-windows)
Personally, I'm a Mac user, so I use the free program MI/X together wit h NCSA Telnet. I'm also aware of a commercial program called eXodus from White Pine Software (but this costs money).
For Windows machines, there is a X-window graphics program called "X-ThinPro" available from Labtam software. It works well with the CSD software running under Windows XP. Haverford does not have a site license for this program; each license costs about $90.
1. MI/X for the MacIntosh is offered free from a company called Microimages, inc. First you need to download the file from the website: http://www.microimages.com/freestuf/mix/macindex.htm
2. The first time you run MI/X, set the preferences to factory defaults, except that you should change following two preferences (in the file menu).
3. You can't log on to the chem department computer through MI/X. So you must use NCSA Telnet (available free from the ACC Server software site) to log on. (Get the account name from Rob Scarrow).
4. Now you have a choice to make. Either you can use the old software (called quest, version 5), or the new software (called conquest). Conquest looks nicer, but runs a lot slower in terms of its graphics performance (although it may be faster in terms of its searching performance). Personally, I still use quest, version 5.
5a. To choose conquest (newer software): Type "cq" followed by return.
5b. To choose quest, version 5, type "questv5 mysearch", except that you can replace "mysearch" by any 8-letter or less filename. This will become the file prefix for all output files generated by quest during this session; depending on what you ask for you will get out a number of files with different suffixes such as .jnl (journal references), .cor (coordinates), or .gls (bond distances and/or angles).
After a bunch of preliminary messages appear on the screen, you will see a ">" prompt. Type the following two commands (followed by returns)
6. A few seconds after you hit the (last) return from step 5, you will get one of those "A client is trying to connect from" messages I warned you about in step 2. Assuming it is trying to connect from io.haverford.edu, this means everything is working as it should. In this case, accept the connection.
7. Nothing shows up at first, which seems to be due to a glitch in MI/X (well, it is free after all). On Mac's running system 8.6 or 9, I have found it necessary to click to make TELNET the active application, and then switch back to MI/X (using the upper right menu).
Occassionally while using MI/X with Conquest you will see the ghost of a windowframe on your screen, which can be moved around by moving the mouse. The program is asking you where to put the window, and will not proceed until you click the mouse.
8. A graphical window will appear and you are ready to use the conquest or questv5 software. Guidance as to how to use the CONQUEST program is provided in the documentation at the Cambridge Structural Database web site, under the subheading of ConQuest User Guide and Tutuorials. There are tutorials contained in appendix D of the User Guide. The documentation from the older quest program is maintained here at Haverford.
9. When you are done with the conquest search, first quit conquest using Exit from the File menu (not the MI/X window at the way top of the screen, but the menu created within the X-window environment by conquest). From quest, click on the "Exit" option that shows up on the screen.
10. Go back to telnet to log off of io or unixmail.
11. If you generated any output files from conquest or quest (and you almost certainly generated files if you used quest), you can use an FTP program such as FETCH (for Macintosh) to download your files from the chem department computer.
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