Quacpac TK 2.0.1¶
Minor bug fixes¶
- The definition of OEHybridizationLevel.Default has been changed from OEHybridizationLevel.Original to OEHybridizationLevel.EnolEnamine for consistency with the behavior of the default OETautomerOptions class constructor.
- OEAssignCharges no longer requires a case license when used with OEELFCharges.
- OEEnumerateTautomers has been fixed to output multiple tautomers when OETautomerOptions.SetRankTautomers is false.
- OEAssignCharges no longer crashes for molecules where the distance between atoms is less than 0.5 Angstrom.