Quacpac TK 1.6.1¶
Major bug fixes¶
Minor bug fixes¶
OEEnumerateTautomerswill 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
OESetNeutralpHModelinvolving quaternary nitrogen and protonated aromatic nitrogens.