girke-lab/ChemmineOB-release: R interface to a subset of OpenBabel functionalities
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
Browse package contents
Package details |
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| Author | Kevin Horan, Thomas Girke |
| Bioconductor views | Cheminformatics |
| Maintainer | Kevin Horan <khoran@cs.ucr.edu> |
| License | file LICENSE |
| Version | 1.2.9 |
| URL | http://manuals.bioinformatics.ucr.edu/home/chemminer |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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