rcdk - Interface to the CDK Libraries
Description
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. The package
can also use JChemPaint, to draw 2D structure and use them within R and Jmol to
view structures in 3D