Description:
Chemical toolbox
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Type: Formula
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Latest Version: 3.2.1@0
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Tracked Since: Nov 2, 2025
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Links:
Homepage |
formulae.brew.sh
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Category: Other
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Tags:
chemistry
cheminformatics
science
data-conversion
molecular-modeling
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Install:
brew install open-babel
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About:
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows users to search, convert, and analyze chemical information across over 110 file formats. Its primary value is enabling interoperability between different molecular modeling and cheminformatics software packages.
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Key Features:
- Command-line interface for batch processing and scripting
- Support for over 110 chemical file formats
- Provides 2D and 3D structure generation and visualization
- Includes tools for molecular mechanics energy minimization
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Use Cases:
- Converting molecular structures between proprietary and open formats for research workflows
- Filtering and analyzing large chemical datasets for drug discovery screening
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Alternatives:
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RDKit
– RDKit is a Python-centric library focused on cheminformatics algorithms, whereas Open Babel excels as a general-purpose format converter and CLI tool.
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ChemAxon
– ChemAxon offers enterprise-grade commercial suites with extensive support, while Open Babel provides a free, open-source alternative for format interoperability.
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| Detected |
Version |
Rev |
Change |
Commit |
| Jul 11, 2026 11:52pm |
3.2.1 |
0 |
VERSION_BUMP |
3f86e407 |
| Jan 21, 2026 3:41am |
|
5 |
REVISION_ONLY |
ee3aa2a1 |
| Nov 2, 2025 6:42am |
|
3 |
VERSION_BUMP |
4cfe1451 |
| Sep 16, 2025 4:34pm |
|
2 |
VERSION_BUMP |
79c0fa39 |
| Sep 30, 2024 11:57pm |
|
2 |
VERSION_BUMP |
2ca8c8a9 |
| Sep 10, 2024 2:42pm |
3.1.1 |
2 |
VERSION_BUMP |
a625b268 |
| Dec 12, 2022 9:04am |
3.1.1 |
2 |
VERSION_BUMP |
4a03445c |
| Dec 12, 2022 9:04am |
3.1.1 |
2 |
VERSION_BUMP |
527ea20e |
| Nov 21, 2022 9:07am |
3.1.1 |
2 |
VERSION_BUMP |
6d87a0db |
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