Quacpac TK 1.6.1

New features

Major bug fixes

Minor bug fixes

  • OEEnumerateTautomers will now properly set stereochemistry on planar carbon to OEAtomStereo::Undefined. Previously, planar carbon could inherit stereochemistry from an input molecule with stereochemistry set on a tetrahedral carbon.
  • A few bugs have been fixed in OESetNeutralpHModel involving quaternary nitrogen and protonated aromatic nitrogens.