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New predictor.jar

The standalone prediction code has been updated. It now includes the stereo prediction. This should work as describe in http://www.nmrshiftdb.org/portal/js_pane/P-Help?URL=using.html#predict. Of course the input needs to have its stereochemistry defined by wedge bonds. Details on how to use the jars are found at http://sourceforge.net/p/nmrshiftdb2/wiki/PredictorJars/

Posted by Stefan Kuhn 2014-03-17

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