girke-lab/ChemmineOB: R interface to a subset of OpenBabel functionalities
Version 1.17.2

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.

Getting started

Package details

AuthorKevin Horan, Thomas Girke
Bioconductor views BiomedicalInformatics CellBasedAssays Cheminformatics Clustering DataImport Infrastructure MicrotitrePlateAssay Pharmacogenetics Pharmacogenomics Proteomics Visualization
MaintainerThomas Girke <[email protected]>
Licensefile LICENSE
Version1.17.2
URL https://github.com/girke-lab/ChemmineOB
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("devtools")
library(devtools)
install_github("girke-lab/ChemmineOB")
girke-lab/ChemmineOB documentation built on Dec. 13, 2017, 3:36 a.m.