ChemmineOB

R interface to a subset of OpenBabel functionalities

Bioconductor version: Development (3.0)

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:

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

To cite this package in a publication, start R and enter:

    citation("ChemmineOB")

Documentation

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

Details

biocViews Cheminformatics, Software
Version 1.3.0
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

Package Downloads

Package Source ChemmineOB_1.3.0.tar.gz
Windows Binary ChemmineOB_1.3.0.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard) ChemmineOB_1.3.0.tgz
Mac OS X 10.9 (Mavericks)
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