Quacpac TK 2.0.1¶
Minor bug fixes¶
The definition of
OEHybridizationLevel_Default
has been changed fromOEHybridizationLevel_Original
toOEHybridizationLevel_EnolEnamine
for consistency with the behavior of the default OETautomerOptions class constructor.OEAssignCharges
no longer requires acase
license when used withOEELFCharges
.OEEnumerateTautomers
has been fixed to output multiple tautomers whenOETautomerOptions.SetRankTautomers
isfalse
.OEAssignCharges
no longer crashes for molecules where the distance between atoms is less than 0.5 Angstrom.