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openbabel-ruby

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Ruby bindings for OpenBabel, an open-source chemical toolbox for molecular modeling, cheminformatics, and computational chemistry. Supports 110+ molecular file formats (SMILES, SDF, MOL2, PDB, CIF, etc.), molecular fingerprints, 2D/3D coordinate generation, and structure manipulation. The gem compiles OpenBabel 3.1.1 from source with SWIG bindings during installation.
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 Popularity
Downloads
1,531
Stars
0
Forks
0
Watchers
0
 Releases
Current version
3.1.1.2
Total releases
6
First release
2025-12-12
Latest release
2026-01-24
 Development
Primary Language
CMake
Licenses
GPL-3.0
Average date of last 50 commits
2026-01-02
Reverse Dependencies
0

 Dependencies
 Project Readme

openbabel gem

GEM for OpenBabel, a chemical library by Geoff Hutchison and others.

openbabel gem has been tested with ruby 1.9 and 2.0. It compiles only on POSIX systems and requires the following programs and libraries (details at https://openbabel.org/docs/Installation/install.html#compile-language-bindings):

  • C++ compiler (GCC 4+, Clang, or Intel Compiler 11+)
  • CMake 2.8 or later
  • git
  • make
  • Eigen 3 (required for Ruby bindings)
  • libxml2 (optional, for CML/XML formats)
  • zlib (optional, for gzipped files)
  • Cairo (optional, for PNG depiction)

Install

gem install openbabel

It downloads the sources, compiles and installs OpenBabel (if not installed system wide) and ruby bindings. If OpenBabel is not yet installed installation may last very long - please be patient.