ChemmineOB : R interface to a subset of OpenBabel functionalities

Package: ChemmineOB
Type: Package
Title: R interface to a subset of OpenBabel functionalities
Version: 1.10.2
Date: 2016-04-20
Author: Kevin Horan, Thomas Girke
Maintainer: Thomas Girke <thomas.girke@ucr.edu>
Suggests: ChemmineR, BiocStyle, knitr, knitcitations, knitrBootstrap
Imports: BiocGenerics, zlibbioc, Rcpp (>= 0.11.0)
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
SystemRequirements: OpenBabel (>= 2.3.1) with headers
(http://openbabel.org).
Enhances: ChemmineR (>= 2.13.0)
URL: https://github.com/girke-lab/ChemmineOB
biocViews: Cheminformatics, BiomedicalInformatics, Pharmacogenetics,
Pharmacogenomics, MicrotitrePlateAssay, CellBasedAssays,
Visualization, Infrastructure, DataImport, Clustering,
Proteomics
VignetteBuilder: knitr
LinkingTo: BH, Rcpp
NeedsCompilation: yes
Packaged: 2016-05-16 04:01:39 UTC; biocbuild