Giancarlo Dessì 2da024b26e academic/Gabedit: Install references. 2 years ago
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Gabedit.SlackBuild 2da024b26e academic/Gabedit: Install references. 2 years ago
Gabedit.info 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) 2 years ago
README 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) 2 years ago
References 1899bdeef0 academic/Gabedit: Added references. 2 years ago
doinst.sh 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) 2 years ago
slack-desc 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) 2 years ago

README

Gabedit is a graphical user interface to computational chemistry
packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC,
MOPAC, 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.