Murcko Scaffold of molecule fails

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Hi there,

I encountered the following problem while processing an input library and want to report it:

"ERROR    Murcko Scaffold       Execute failed: CMF saver: Internal error: mapping is invald"

I tracked the problem down to the responsible molecule and created a minimal workflow producing this error. Both are attached in a zip file.

My settings are:

  • OSX 10.9.5
  • Knime 2.9.1
  • Indigo KNIME integration 1.1.13.201306111153

Kind regards & thanks for providing these useful nodes!

Philipp

 

 

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