Gabedit

Gabedit is a graphical user interface for several computational chemistry packages. The interface can be used with packages such as Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess, and Q-Chem.

The interface can display a variety of calculation results that includes support for most major molecular file formats, and allows the user to sketch in molecules and examine them in three dimensions. Exporting the graphics can be done through various formats including animations.

Some of the main features of Gabedit include the ability to graphically display molecular orbitals, surfaces from the electron density, electrostatic potention, NMR shielding density, and other properties, the surfaces in solid, translucent, and wire mesh modes, contours, planes (with colorcoding), and dipole. The animation of the normal modes correspond to vibrational frequencies, the rotation of geometry, surfaces, contours, planes, and xyz axes of a molecule.

Gabedit can display UV-Vis, IR, and Raman computed spectra, generate a povray file for geometry, surfaces, contours, and planes. It allows for a saved picture in BMP, JPEG, PNG, PPM, and PS formats, as well as a series of pictures for animation.