Quacpac TK 1.9.2¶

Minor bug fixes¶

OEAssignPartialCharges, deprecated since the 2017.Feb release, now throws a deprecated warning.
OEEnumerateTautomers now obeys the maximum tautomers option set in the OETautomerOptions class.

Documentation changes¶

The functions OEEnumerateTautomers and OEGetReasonableProtomer remove molecule coordinates during their processing since changing the tautomer state may invalidate the 3D structure. This behavior change was introduced in the 2017.Feb release.