Gabedit
|
A screenshot of Gabedit 2.0.1 | |
| Developer(s) | A.R. ALLOUCHE |
|---|---|
| Stable release | 2.4.7 / August 2013 |
| 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
- 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.
See also
External links
This article is issued from Wikipedia - version of the Saturday, April 30, 2016. The text is available under the Creative Commons Attribution/Share Alike but additional terms may apply for the media files.