gabedit

GUI editor for computational chemistry calculations with Gamess-US and Gaussian.

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About

GUI to computational chemistry packages like Gamess-US, Gaussian, etc.

Commands

gabedit

Examples

open the graphical interface for building molecular structures$ gabedit
create and edit input files for quantum chemistry calculations$ gabedit &
visualize and analyze molecular orbital results from Gamess output$ gabedit molecule.out
draw 3D molecular structures and export to calculation formats$ gabedit mycompound.gab
prepare Gaussian input files with point and click interface$ gabedit structure.gjf