open-babel
brew install open-babelChemical toolbox
https://github.com/openbabel/openbabel
License: GPL-2.0-only
Development: Pull requests
Formula JSON API: /api/formula/open-babel.json
Formula code: open-babel.rb on GitHub
Bottle (binary package) installation support provided for:
| macOS on Apple Silicon |
golden gate | ✅ |
|---|---|---|
| tahoe | ✅ | |
| sequoia | ✅ | |
| Linux | ARM64 | ✅ |
| x86_64 | ✅ |
Current versions:
| stable | ✅ | 3.2.1 |
| head | ⚡️ | HEAD |
Depends on:
| cairo | 1.18.6 | Vector graphics library with cross-device output support |
| eigen | 5.0.1 | C++ template library for linear algebra |
| inchi | 1.07.5 | IUPAC International Chemical Identifier |
| python@3.15 | 3.15.0 | Interpreted, interactive, object-oriented programming language |
Depends on when building from source:
| cmake | 4.4.4 | Cross-platform make |
| pkgconf | 3.0.10 | Package compiler and linker metadata toolkit |
| rapidjson | 1.1.0 | JSON parser/generator for C++ with SAX and DOM style APIs |
| swig | 4.5.1 | Generate scripting interfaces to C/C++ code |
Uses from macOS: libxml2
Conflicts with: surelog (because both install `roundtrip` binaries)
Binaries:
obabel,
obconformer,
obdistgen,
obenergy,
obfit,
obfitall,
obgen,
obgrep,
obminimize,
obmm,
obprobe,
obprop,
obrms,
obrotamer,
obrotate,
obspectrophore,
obsym,
obtautomer,
obthermo,
roundtrip
Analytics:
| 30 days | 90 days | 365 days | |
|---|---|---|---|
| Installs | 82 | 343 | 2,537 |
Installs (--HEAD) | 0 | 2 | 9 |
| Installs on Request | 82 | 343 | 2,519 |
Installs on Request (--HEAD) | 0 | 2 | 9 |
| Build Errors | 6 |