# Install open-babel with Homebrew Chemical toolbox. Version 3-2 via Homebrew; verified 2026-06-25. ## Install ```sh sudo av install brew:open-babel ``` Additional install commands: ### macOS - Homebrew (100%): ```sh brew install open-babel ``` Evidence: local Homebrew formula metadata ## Package facts - **Package key:** brew:open-babel - **Package manager:** Homebrew - **Package manager page:** - **Version:** 3-2 - **Source summary:** Chemical toolbox - **Homepage:** - **Repository:** - **Upstream docs:** - **License:** GPL-2.0-only - **Source archive:** - **Last updated:** 2026-06-25T13:37:58+02:00 - **Generated:** 2026-07-08T18:08:21+00:00 ## Executables - obabel (cli) - obconformer (cli) - obdistgen (cli) - obenergy (cli) - obfit (cli) - obfitall (cli) - obgen (cli) - obgrep (cli) - obminimize (cli) - obmm (cli) - obprobe (cli) - obprop (cli) - obrms (cli) - obrotamer (cli) - obrotate (cli) - obspectrophore (cli) - obsym (cli) - obtautomer (cli) - obthermo (cli) - roundtrip (cli) - obabel (alias) - obconformer (alias) - obdistgen (alias) - obenergy (alias) - obfit (alias) - obfitall (alias) - obgen (alias) - obgrep (alias) - obminimize (alias) - obmm (alias) - obprobe (alias) - obprop (alias) - obrms (alias) - obrotamer (alias) - obrotate (alias) - obspectrophore (alias) - obsym (alias) - obtautomer (alias) - obthermo (alias) - roundtrip (alias) ## Dependencies - cairo - eigen - inchi - python@3.14 ## Build dependencies - cmake - pkgconf - rapidjson - swig ## Uses from macOS - libxml2 ## Install behavior - Post-install hook: not defined - Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux ## Freshness - Page generated: 2026-07-08 - Package-manager version: 3-2 - Package-manager updated: 2026-06-25 - Local data: ok - Upstream repository: https://github.com/openbabel/openbabel - info: No cached GitHub release or tag data was available. ## Project history and usage Open Babel is an open chemical toolbox for reading, writing, converting, searching, and analyzing molecular data. Its core historical purpose is format translation: chemistry has many file formats with different assumptions about atoms, bonds, coordinates, charges, and metadata, and Open Babel gives users and programs a common command-line and library layer across them. ### Project history Open Babel grew out of the older Babel molecular-format converter tradition into a collaborative open-source chemistry toolkit. The project describes itself as designed to speak the many languages of chemical data and to serve molecular modeling, chemistry, solid-state materials, biochemistry, and related areas. The 2011 Journal of Cheminformatics paper presented Open Babel as an open chemical toolbox and reported that Open Babel 2.3 interconverted more than 110 formats. The paper framed the project as a response to the proliferation of chemical file formats and highlighted the need for algorithms beyond plain conversion, including aromaticity perception, partial charges, bond-order perception, and canonicalization. The project continued through the 2.x line into 3.x with a plugin-oriented toolkit, command-line tools, language bindings, descriptors, fingerprints, force fields, coordinate generation, and release notes maintained as project documentation. ### Adoption history Open Babel is widely embedded in cheminformatics workflows because it is both a CLI and a library. Its GitHub README advertises ready-to-use programs, a programmer toolkit, format conversion, SMARTS searching, 2D and 3D coordinate generation, and support across molecular modeling, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, and nuclear chemistry. Its adoption is visible in package managers, tutorials, wrappers, and scientific citations rather than in a single application platform. The supported-format documentation lists 146 formats in total, with 108 readable and 107 writable formats, which explains why downstream tools often shell out to obabel or link against Open Babel rather than maintaining their own converters. ### How it is used The typical user runs obabel to convert between formats, filter molecule files, search by SMARTS patterns, generate coordinates, add or transform properties, and prepare files for other chemistry tools. The package also ships many specialized executables for conformer generation, energy calculation, minimization, property reporting, RMSD, rotamers, symmetry, and thermochemistry. Library users treat Open Babel as a chemistry interchange layer. Instead of writing a parser for every molecular format, applications can use Open Babel's C++ toolkit and bindings to import, transform, and export molecular structures while reusing its chemical perception and descriptor machinery. ### Why package nerds care Open Babel is a classic package-manager workhorse: not glamorous, but it collapses an ugly interoperability problem into one installed toolkit. Its value is amplified by the number of formats it hides from downstream packages and the breadth of small command-line programs it exposes. For packagers, Open Babel is also a reminder that scientific CLI tools are often libraries with many executable front doors. ABI compatibility, plugin data, optional language bindings, and format support matter because other scientific packages may depend on Open Babel behavior without surfacing it directly to users. ### Timeline - Pre-Open Babel: Babel established the molecular-format conversion niche. - 2011: the Open Babel chemical toolbox paper described version 2.3 and more than 110 interconverted formats. - 2.x series: Open Babel accumulated conversion, searching, descriptor, coordinate-generation, and toolkit features. - 3.x series: the documentation tracks Open Babel 3 releases and a modernized docs/API surface. ### Related projects - Open Babel overlaps with RDKit, CDK, Avogadro, cheminformatics file formats such as SMILES, InChI, SDF, MOL2, PDB, and CML, and toolchains for molecular modeling and computational chemistry. Its specific niche is broad format interoperability plus a command-line-first toolbox. ### Sources - - - - - - source_facts.executables - source_facts.package-manager ## Security Notes narrow executable package without higher-risk signals. - **Geiger risk:** green / low - narrow executable package without higher-risk signals ## Source Database Details - **Source Database:** Homebrew formula API - **Tap:** homebrew/core - **Full Name:** open-babel - **Version Scheme:** 0 - **Revision:** 0 - **Head Version:** HEAD - **Conflicts With:** surelog - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** head, stable ## Related links - [Source-control packages](https://www.automicvault.com/pkg/source-control-tools/) - Belongs to a source-control command family. - [Terminal utility packages](https://www.automicvault.com/pkg/terminal-utilities/) - Matched terminal and command-line workflow metadata. - [Networking and protocol packages](https://www.automicvault.com/pkg/networking-protocol-tools/) - Matched network, protocol, or remote-service metadata. - [Scientific computing packages](https://www.automicvault.com/pkg/scientific-computing-tools/) - Matched scientific computing metadata. - [cairo](https://www.automicvault.com/pkg/brew/cairo/) - Runtime dependency declared by Homebrew. - [inchi](https://www.automicvault.com/pkg/brew/inchi/) - Runtime dependency declared by Homebrew. - [python@3.14](https://www.automicvault.com/pkg/brew/python-3-14/) - Runtime dependency declared by Homebrew. - [cmake](https://www.automicvault.com/pkg/brew/cmake/) - Build dependency declared by Homebrew. - [pkgconf](https://www.automicvault.com/pkg/brew/pkgconf/) - Build dependency declared by Homebrew. - [swig](https://www.automicvault.com/pkg/brew/swig/) - Build dependency declared by Homebrew. - [gabedit](https://www.automicvault.com/pkg/brew/gabedit/) - Shares av.db curated category or tags: chemistry, cli, science. - [packmol](https://www.automicvault.com/pkg/brew/packmol/) - Shares av.db curated category or tags: chemistry, cli, science. - [pymol](https://www.automicvault.com/pkg/brew/pymol/) - Shares av.db curated category or tags: chemistry, cli, science. - [aamath](https://www.automicvault.com/pkg/brew/aamath/) - Shares av.db curated category or tags: cli, science. - [abpoa](https://www.automicvault.com/pkg/brew/abpoa/) - Shares av.db curated category or tags: cli, science. - [abricate](https://www.automicvault.com/pkg/brew/abricate/) - Shares av.db curated category or tags: cli, science. - [abyss](https://www.automicvault.com/pkg/brew/abyss/) - Shares av.db curated category or tags: cli, science. - [astrometry-net](https://www.automicvault.com/pkg/brew/astrometry-net/) - Both packages touch the same language runtime or ecosystem. Shared terms: cairo, cli, python, python-3-14, science. - [arxiv_latex_cleaner](https://www.automicvault.com/pkg/brew/arxiv-latex-cleaner/) - Both packages touch the same language runtime or ecosystem. Shared terms: cli, python, python-3-14, science. - [badread](https://www.automicvault.com/pkg/brew/badread/) - Both packages touch the same language runtime or ecosystem. Shared terms: cli, python, python-3-14, science. ## Combined YAML source View the package source record on GitHub. [combined/open-babel.yml](https://github.com/automic-vault/db/blob/main/combined/open-babel.yml) ## Sources - Nucleus package database - Geiger risk classifier - package-page enrichment - curated package history - package version freshness - av.db category and tag curation - package relationship graph - cross-ecosystem install command graph