To install this package, start R and enter:

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

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

ChemmineOB

R interface to a subset of OpenBabel functionalities

Bioconductor version: Release (2.14)

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>

To install this package, start R and enter:

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

Installation

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")

 

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

Details

biocViews Cheminformatics, Software
Version 1.2.8
In Bioconductor since BioC 2.13 (R-3.0)
License file LICENSE
Depends R (>= 2.15.1), methods
Imports BiocGenerics, zlibbioc
Suggests ChemmineR, BiocStyle, knitr, knitcitations
System Requirements
URL http://manuals.bioinformatics.ucr.edu/home/chemminer
Depends On Me
Imports Me
Suggests Me ChemmineR

Package Archives

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

Package Source ChemmineOB_1.2.8.tar.gz
Windows Binary ChemmineOB_1.2.8.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard) ChemmineOB_1.2.8.tgz
Mac OS X 10.9 (Mavericks) ChemmineOB_1.2.8.tgz
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