To install this package, start R and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineOB")

In most cases, you don't need to download the package archive at all.

ChemmineOB

This package is for version 3.2 of Bioconductor; for the stable, up-to-date release version, see ChemmineOB.

R interface to a subset of OpenBabel functionalities

Bioconductor version: 3.2

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.

Author: Kevin Horan, Thomas Girke

Maintainer: Thomas Girke <thomas.girke at ucr.edu>

Citation (from within R, enter citation("ChemmineOB")):

Installation

To install this package, start R and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineOB")

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("ChemmineOB")

HTML		ChemmineOB
PDF		Reference Manual
Text		README
Text		NEWS
Text		LICENSE

Details

biocViews	BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization
Version	1.8.2
In Bioconductor since	BioC 2.13 (R-3.0) (2.5 years)
License	file LICENSE
Depends	R (>= 2.15.1), methods
Imports	BiocGenerics, zlibbioc, Rcpp (>= 0.11.0)
LinkingTo	BH, Rcpp
Suggests	ChemmineR, BiocStyle, knitr, knitcitations, knitrBootstrap
SystemRequirements	OpenBabel (>= 2.3.1) with headers (http://openbabel.org).
Enhances	ChemmineR(>= 2.13.0)
URL	https://github.com/girke-lab/ChemmineOB
Depends On Me
Imports Me
Suggests Me	ChemmineR
Build Report

Package Archives

Follow Installation instructions to use this package in your R session.

Package Source	ChemmineOB_1.8.2.tar.gz
Windows Binary	ChemmineOB_1.8.2.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard)	ChemmineOB_1.8.0.tgz
Mac OS X 10.9 (Mavericks)	ChemmineOB_1.8.2.tgz
Subversion source	(username/password: readonly)
Git source	https://github.com/Bioconductor-mirror/ChemmineOB/tree/release-3.2
Package Short Url	http://bioconductor.org/packages/ChemmineOB/
Package Downloads Report	Download Stats

Documentation »

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