News

January 5, 2004-- All computer work is now being done on the Linux pc's.  In the past file were archived on xray.chem.purdue.edu.  No files will be stored there.  You can retrieve files from the labs reciprocal net page as input for graphics and calculations.

December 15, 2004--I is now possible to do rendered ORTEP's from PLATON such as the one below.  I will be happy to set it up on your pc.

January 3, 2005--Samples must be submitted using the on-line form reached from the main page.  Please complete the form accurately as your input will be used to set up the data files.  After completing the form on-line, a paper version will be printed in the lab.  Be sure that your sample is labeled so it can be matched to the form. There is a computer in the X-ray lab where the form can be filled out.  NOTE-- if the form is not completed correctly, you will be notified by e-mail that the form has been rejected.  A new form must then be submitted!

January 10 , 2005-- The 2005 version of the Cambridge Structural Database was installed.  It is available via telnet at csd.chem.purdue.edu.  Users in the Department of Chemistry or in the School of Pharmacy can install it on their own computers.  Contact the X-ray Lab.

June 24, 2005--The lab is now online.  See the main page for the url.  If you are using Internet Explorer  you will not currently see the camera views.  However, clicking above the captions will let you see them in full screen mode.  You can look at the lab to determine several things.  First, if the lab is dark then I am not in the lab.  Second, if the low temperature run mode is ShutdownOK then the diffractometer is most likely free.  Lastly, there is a board on top of the diffractometer box indicating which sample is currently being run.  If this board does not contain a sample id or is not in the view then the diffractometer is free.

June 27, 2005--A new version of Mercury (1.4) is available from the CCDC.  The good news is that it will produce rendered ORTEP's from cif's and .res files.  The bad news is that it still places the graphics on a black background which is not favorable for printing.  Mercury is free and can be downloaded from the url on the software page.

Oct 11, 2005--The old disk on the main Linux computer became un-bootable but fortunately all the data was saved.  A new disk has been installed and the old data copied to the new disk.  Hopefully everything is now working.  If you encounter problems please call the lab at 445472 to report them.

Nov 15, 2005--A new method for calculating the validity of the absolute structure has been added to PLATON and a report named ent.txt is being generated from the output.  The report contains the Flack parameter and its error, a new Flack Equivalent Parameter which has a lower error than the standard parameter and the probabilities that the correct is configuration, totally incorrect and that the crystal is a racemic twin.  This report is much friendlier than anything in the past.

Dec 6, 2005--The 2006 version of the Cambridge Structural Database was installed.   It is available via ssh at csd.chem.purdue.edu.  Users in the Department of Chemistry or in the School of Pharmacy can install it on their own computers.  Contact the X-ray Lab.

October 12, 2006--Firewalls have been placed on both the lab's Linux computers.  If you have trouble connecting with them please contact the lab.

November 14, 2006--The CIMA web page (live view of the lab) has moved.  It can be viewed directly at http://156.56.94.164/cgi-bin/overview/purdue/overview_cima
 It is also possible to obtain an account and view the data collection files both while they are collected and as archived afterwards.  Contaact the lab for more information.

January 17, 2007--The 2007 version of the Cambridge Structural Database was installed.  If you have a locally installed version you can obtain this years disks from the lab.

February 5, 2007--A new ONEPURDUE version of the submittal form has been created.