Wednesday, March 23, 2011

Gabedit graphical user interface

I found a neat free software called Gabedit. It is a graphical user interface for making/reading input and output files from other softwares such as GAMESS and MOPAC. You can build molecules and send it to any of the programs listed. It can act as a driver for molecular dynamics simulations using MOPAC. If running a MOPAC geometry optimization one can view the geometry and energy of each step, much like gaussview for gaussian. So far I have only managed to get it to work for Windows, so if anyone is able to make the linux version work, please let me know...

Cheers,
Martin

3 comments:

Jan said...

It looks like an interesting program. Too bad the installation is such a pain.

Anders Christensen said...

Hey Martin. If you like me are an Ubuntu user, you can get Gabedit directly from the repositories via apt-get, I also tried the installer, which seemingly worked straight out of the box.

Martin Andersson said...

Hi Anders,

I don't run Ubuntu, but CentOS. I have tried again and failed. I may have to update some libraries (GTK+) in order to get it to install.