gabedit ☆

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Description:
GUI to computational chemistry packages like Gamess-US, Gaussian, etc.

Type: Formula | Latest Version: 2.5.1@1 | Tracked Since: Dec 28, 2025

Links: Homepage | formulae.brew.sh

Category: Other

Tags: chemistry science visualization gui quantum

Install: brew install gabedit

About:
Gabedit is a graphical user interface for several computational chemistry programs, including Gamess-US, Gaussian, Molcas, MOLPRO, and NWChem. It provides comprehensive tools for building molecular structures, preparing input files, and visualizing calculation results such as orbitals and densities. The application serves as a versatile pre- and post-processor, streamlining the workflow for quantum chemistry simulations.

Key Features:

Graphical molecular builder and editor for constructing complex molecular systems
Support for generating input files for multiple quantum chemistry packages (Gaussian, Gamess-US, etc.)
Advanced visualization capabilities for molecular structures, orbitals, and electron density surfaces
Cross-platform compatibility (Linux, macOS, Windows)

Use Cases:

Designing and building molecular structures for quantum chemistry calculations
Creating input decks for various computational chemistry software packages
Visualizing and analyzing the results of electronic structure calculations

Alternatives:

Avogadro – Avogadro is a popular open-source molecular editor and visualizer, often considered a primary alternative for general molecular modeling tasks.
GaussView – GaussView is the proprietary, native GUI for Gaussian, offering deep integration but lacking Gabedit's multi-package support and open-source nature.

Version History

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