Name Mode Size
..
ChemmineOB.R 100644 1,848 kb
wrappers.R 100644 4 kb
README.md
ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the [OpenBabel](http://openbabel.org) 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. ChemmineOB is hosted on [Bioconductor](http://www.bioconductor.org) where you can find the [Release](http://www.bioconductor.org/packages/2.14/bioc/html/ChemmineOB.html) version and the [Development](http://www.bioconductor.org/packages/devel/bioc/html/ChemmineOB.html) version.