Chemistry software hints

Versions Compared

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.
Comment: Migrated to Confluence 4.0

For help with SciFinder and other library related material, see this wonderful resource.

MestReNova MestreNova is a wonderful tool for manipulating NMR files. The manual for 6.0.4 is here

For X-Ray Chrystalography analysis, we have installed apex2 on laue, the manual is can be downloaded. 

       You will need to login to laue:  ssh -Y laue.coby.edu

                  and then type:   apex &Spartan   

       to run it.

Gaussian is available on nscc, all seven PCs 17 Macintosh in the schupf lab, and on all

wet lab imaged macs in Keyes. Do not use spartan04 on the macs in the schupflab,instead use spartan from the application window. These macs run spartan remotely from iris13 schupflab over

an X windows connection. Under Mac 10.5.6 OS you may need to alter the

permissions with X11. Fire up X11, pull down the X11 menu and select

preferences, then under the security tab, allow connection from the network: Image Removed
install XQuartz.

 

http://www.ks.uiuc.edu/Training/Tutorials/Reference/macosxprimer.html

...

ssh -Y laue.coby.edu

apex &

WebMO:   available at   http://schupflab.colby.edu/cgi-bin/webmo/login.cgi

                  you will need a login to use this service, check with rhdowner@colby.edu.

                  You may need to adjust your java settings (http://www.java.com/en/download/help/jcp_security.xml)

                  to anable http://schupflab.colby.edu   to dowloand and run the java based builder.