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.