Gabedit
From Wikipedia, the free encyclopedia
Gabedit is a Graphical User Interface to GAMESS (US) , GAUSSIAN, MOLCAS, MOLPRO and MPQC computational chemistry packages.
[edit] Major features
- builds molecules by atom, ring, group, amino acid and nucleoside.
- Creates input file for GAMESS (US), GAUSSIAN, MOLCAS, MOLPRO and MPQC.
- Reads output from the ab initio packages GAMESS (US), GAUSSIAN, MOLCAS, MOLPRO and MPQC, 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.
