[Rdkit-devel] New RDKit SWIG wrappers
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2011-04-28 05:23:26
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Dear all, I'm happy to announce the next contribution to the RDKit from NIBR: a new set of SWIG-based Java wrappers for the RDKit. These wrappers, developed for us by Entagen, provide a much better coverage of the C++ functionality and are more robust than the demo SWIG wrappers I had developed as a proof of concept. There are some API differences, so code that worked with the old wrappers will require a few modifications to work with the new wrappers. The new wrappers had been on a branch in svn for the past week or so, this morning I merged them onto the trunk. They live in $RDBASE/Code/JavaWrappers If you're interested in building the wrappers yourself, note that there's a change in the build process: at the moment you need to put a copy of junit.jar (from www.junit.org) in the directory $RDBASE/External/java_lib. Please give the wrappers a try and let me know what you think. Best Regards, -greg |