ibabel ☆

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Description:
GUI for the cheminformatics toolkit OpenBabel

Type: Cask | Latest Version: 5.0.3,2023,02@0 | Tracked Since: Dec 28, 2025

Links: Homepage | formulae.brew.sh

Category: Other

Tags: cheminformatics chemistry molecular-modeling scientific-computing data-conversion visualization

Install: brew install --cask ibabel

About:
iBabel provides a graphical user interface for OpenBabel, the leading open-source chemical informatics toolkit. It enables scientists to easily convert between various chemical file formats, perform molecular visualizations, and execute common cheminformatics operations without using the command line. The application streamlines workflows for handling molecular data, making chemical structure manipulation accessible to researchers and students.

Key Features:

Format conversion between 110+ chemical file formats
3D molecular visualization and rendering capabilities
Structure searching and fingerprint generation
2D coordinate generation and structure cleanup
Energy minimization and geometry optimization

Use Cases:

Converting proprietary chemical data formats to open standards for database integration
Visualizing and analyzing molecular structures for computational chemistry research
Preparing chemical structures for molecular modeling and simulation software
Batch processing chemical datasets for academic or industrial research workflows

Alternatives:

OpenBabel CLI – Command-line version offering same core functionality but without graphical interface
Avogadro – Advanced molecular editor with 3D visualization, more focused on quantum chemistry workflows
PyMOL – Professional molecular visualization system with extensive features, but commercial and more complex

Version History

Detected	Version	Rev	Change	Commit