rcdk: rcdk - Interface to the CDK Libraries

This package allows the user to access functionality in the CDK, a Java framework for cheminformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular descriptors and so on. In addition the CDK API allows the user to view structures in 2D.

Version: 3.2.3.2
Depends: fingerprint
Imports: rJava, rcdklibs (≥ 1.5.4), methods, png, iterators
Suggests: xtable, RUnit
Published: 2013-10-07
Author: Rajarshi Guha
Maintainer: Rajarshi Guha <rajarshi.guha at gmail.com>
License: LGPL-2 | LGPL-2.1 | LGPL-3 [expanded from: LGPL]
NeedsCompilation: no
Citation: rcdk citation info
Materials: NEWS ChangeLog
In views: ChemPhys
CRAN checks: rcdk results

Downloads:

Reference manual: rcdk.pdf
Vignettes: rcdk Tutorial
Package source: rcdk_3.2.3.2.tar.gz
MacOS X binary: rcdk_3.2.3.2.tgz
Windows binary: rcdk_3.2.3.2.zip
Old sources: rcdk archive

Reverse dependencies:

Reverse depends: SimuChemPC