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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.

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Ruby wrapper for openbabel lib

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