 A screenshot of Gabedit 2.0.1 | |
| Developer(s) | A.R. ALLOUCHE |
|---|---|
| Stable release | 2.5.1
/ July 27, 2021 |
| Repository | |
| Operating system | OS Portable (Source code to work with many OS platforms) |
| Type | Molecular modelling |
| License | BSD License |
| Website | gabedit |
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[edit]
- Builds molecules by atom, ring, group, amino acid and nucleoside.
- Creates an input file for computational chemistry packages.
- Reads output from the ab initio packages, 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.
