Name Mode Size
R 040000
inst 040000
man 040000
src 040000
tests 040000
vignettes 040000
DESCRIPTION 100644 1 kb
INSTALL 100644 5 kb
LICENSE 100644 1 kb
NAMESPACE 100644 0 kb 100644 1 kb
cleanup 100755 0 kb
configure 100755 121 kb 100644 1 kb
ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the [OpenBabel]( 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]( where you can find the [Release]( version and the [Development]( version.