DESCRIPTION

Package: ChemmineOB
Type: Package
Title: R interface to a subset of OpenBabel functionalities
Version: 1.2.9
Date: 2014-8-6
Author: Kevin Horan, Thomas Girke
Maintainer: Kevin Horan <khoran@cs.ucr.edu>
Suggests: ChemmineR, BiocStyle,knitr,knitcitations
Imports: BiocGenerics, zlibbioc
Description: ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpelBabel C++ project. OpenBabel is an open source cheminformatics toolbox that includes utilities for structure format interconversions, descriptor calculations, compound similarity searching and more. ChemineOB aims to make a subset of these utilities available from within R. For non-developers, ChemineOB is primarily intended to be used from ChemmineR as an add-on package rather than used directly.
License: file LICENSE
Depends: R (>= 2.15.1), methods
System Requirements: OpenBabel (>= 2.3.1) with headers.  http://openbabel.org
Enhances: ChemmineR (>= 2.13.0)
URL: http://manuals.bioinformatics.ucr.edu/home/chemminer
VignetteBuilder: knitr
biocViews: Cheminformatics
LinkingTo: BH