source("http://bioconductor.org/biocLite.R")
biocLite("ChemmineOB")

ChemmineOB

R interface to a subset of OpenBabel functionalities

Bioconductor version: 2.13

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: Kevin Horan <khoran at cs.ucr.edu>

Installation

To install this package, start R and enter:

source("http://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")

 

PDF	R Script	ChemmineOB Vignette
PDF		Reference Manual
Text		README
Text		NEWS
Text		LICENSE

Details

biocViews	Software
Version	1.0.1
In Bioconductor since	BioC 2.13 (R-3.0)
License	file LICENSE
Depends	R (>= 2.15.1)
Imports	BiocGenerics, zlibbioc
Suggests	ChemmineR, BiocStyle
System Requirements
URL	http://manuals.bioinformatics.ucr.edu/home/chemminer
Depends On Me
Imports Me
Suggests Me

Package Archives

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

Package Source	ChemmineOB_1.0.1.tar.gz
Windows Binary	ChemmineOB_1.0.1.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard)	ChemmineOB_1.0.1.tgz
Browse/checkout source	(username/password: readonly)
Package Downloads Report	Download Stats