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Published 20 hours ago • verified publisher icon JChemPaint

cleanup changes stereochemistry

Open rwst opened this issue 13 years ago • 0 comments

  1. place cyclohexane with a hetero atom
  2. add a side chain with wedge bond after het (clockwise)
  3. clean molecule will move the side chain before the het, wedge unchanged

This is a reported CDK issue. This issue depends on http://sourceforge.net/tracker/index.php?func=detail&aid=2949782&group_id=20024&atid=120024

A possible workaround, as suggested in the SF tracker, would be to convert to SMILES and back.

rwst avatar Sep 09 '12 07:09 rwst