openbabel 3.1.1

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.

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 openbabel 3.1.1 as follows:

guix install openbabel@3.1.1

Or install the latest version:

guix install openbabel

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.