openbabel

Chemistry data manipulation toolbox

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's a collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

Versions: 3.1.1
Website: http://openbabel.org/wiki/Main_Page
Licenses: GPL 2
Package source: gnu/packages/chemistry.scm
Builds: See build status
Issues: See known issues

Installation

Install the latest version of openbabel as follows:

guix install openbabel

Or install a particular version:

guix install openbabel@3.1.1

You can also install packages in augmented, pure or containerized environments for development or simply to try them out without polluting your user profile. See the guix shell documentation for more information.