Chemistry software hints

Versions Compared


  • 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

                  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.


ssh -Y

apex &

WebMO:   available at

                  you will need a login to use this service, check with

                  You may need to adjust your java settings (

                  to anable   to dowloand and run the java based builder.