Gabedit

Gabedit is a super handy Graphical User Interface designed for some big players in computational chemistry like Gaussian, Molcas, Molpro, and MPQC. If you're diving into these software packages, Gabedit makes everything so much easier!

Easy Molecule Building

One of the cool things about Gabedit is its advanced Molecule Builder. You can quickly sketch out molecules and check them out in 3D! Whether you want to build them by atom, ring, group, amino acid, or nucleoside, it's all possible. Plus, you can even pull geometry from a file since it supports most major molecular file formats.

Simplified Job Setup

Setting up your calculations is straightforward with Gabedit's Gaussian, Molcas, Molpro, and MPQC Calculation Setup window. It streamlines the process so you can focus on your work instead of figuring out complicated setups.

Edit Input Files with Ease

Need to edit some input files? Gabedit has got you covered with its built-in text editor for Molcas, Molpro, Gaussian, and MPQC files. No need to jump between different apps!

Visualize Your Results

This tool isn't just about setup; it also graphically displays results from various calculations like:

• Molecular orbitals.


• Surfaces from electron density or electrostatic potential.


• Color-coded contours and planes.


• Dipole moments and XYZ axes.


• An animated view of normal modes corresponding to vibrational frequencies!

You can even animate rotations and see how different properties interact visually! How cool is that?

Spectra Display and File Generation

If you're working with IR and Raman spectra, Gabedit displays those computed results too! And if you want to create stunning images or animations of your geometries or surfaces (including color-coded surfaces), it generates povray files effortlessly. You can save pictures in formats like PPM, BMP (JPEG), or PS.

Create Awesome Animations

The best part? Gabedit can automatically generate a series of pictures for animations—think vibration effects or geometry rotations. It's perfect for adding flair to presentations!