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rcdk (version 2.5)

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

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Install

install.packages('rcdk')

Monthly Downloads

1,455

Version

2.5

License

GPL version 2 or later, Java part see doc

Maintainer

Last Published

November 1st, 2006

Functions in rcdk (2.5)