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.