ktns / openbabel-gem

Ruby GEM for openbabel

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 http://openbabel.org/docs/2.3.0/Installation/install.html#compiling-open-babel):

• cmake 2.4.8 or later
• curl
• tar, sed, make (those should be present anyway)
• libxml2 (optional)
• zlib (optional)
• Eigen 2.0.3 or later (optional)

Install

gem install openbabel

1. It downloads the OpenBabel sources.
2. It compiles and installs the OpenBabel library, if not installed already.
3. It installs the OpenBabel ruby bindings.

If OpenBabel is not already installed (see step 2.) installation may last very long - please be patient.

Check out http://cs.maunz.de for more information.