Gaussian Output Tools

by M. Haranczyk and S. Ling, 2007
Version 0.03 Logo

Recently Sanliang Ling joined the project and contributed to the newest release.

Gaussian Output Tools (GOT) is a set of Perl scripts to extract data from popular quantum-chemistry program Gaussian03. I created GOT to faciliate manipulation of huge number of outputs created while screening libraries of compounds. Originally GOT was a supplementary project to TauTGen program. GOT has been available for last 1.5 years reaching almost 300 downloads.

If you find GOT useful, please write me an email.

You can download the latest version here (GOT 0.03). Than just extract the tar file. To use the scripts just type:

Getgeom is an example sh script that extracts geoemtry form a series of output files (*.log) and saves them in .xyz files. The extraction itself is done with g03_fingeom.plx script.