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.