Gabedit at NSC


Level of support

Tier 3 NSC will not be able to help you much with this program, either because we lack the in-house experience, or because it is a test installation. In general, these types of installations are untested, and will not be updated unless you send a request to NSC.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-Chem

It can display a variety of calculation results including support for most major molecular file formats. The advanced “Molecule Builder” allows to rapidly sketch in molecules and examine them in 3D. Graphics can be exported to various formats, including animations. For a full list of capabilities and supported computational chemistry packages, see the Gabedit home page.

Access to the gabedit binary is given via the module system, e.g. do a “module load gabedit/2.4.6” and then give the “gabedit” command. Remember that you will need to be logged in with X forwarding or the current VNC solution available to make use of the interface. NSC recommend the VNC solution.