Gabedit

Updated on Oct 02, 2024

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Developer(s) A.R. ALLOUCHE License BSD License		Type Molecular modelling

Stable release 2.4.7 / August 2013; 3 years ago (2013-08) Repository sites.google.com/site/allouchear/Home/gabedit/download Operating system OS Portable (Source code to work with many OS platforms)

Gabedit is a Graphical User Interface to GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, Orca and Q-Chem computational chemistry packages.

Major features

builds molecules by atom, ring, group, amino acid and nucleoside.

Creates input file for GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, Orca and Q-Chem.

Reads output from the ab initio packages GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, Orca and Q-Chem, and supports a number of other formats.

Displays molecular orbitals or electron density as contour plots or 3D grid plots and output to a number of graphical formats.

Animates molecular vibrations, contours, isosurfaces and rotation.

References

Gabedit Wikipedia

(Text) CC BY-SA