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Build Instructions

R CMD BUILD rcdklibs
cd rcdkjar
ant clean jar
cd ../
R CMD BUILD rcdk

R CMD INSTALL rcdklibs_*gz
R CMD INSTALL rcdk_*gz

Before performing the install, you should have the following dependencies installed:

  • rJava
  • fingerprint
  • png
  • methods

For the png package, I have tested png-0.1-2

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Integrating R and the CDK

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