OEDocking TK 1.3.1¶
New features¶
OEAddDockingInteractions
function has been overloaded and can now take anOEInteractionHintContainer
object. The previous OEFragmentNetwork version has been deprecated and will throw a warning upon calling.
C++-specific changes¶
PoseMolsWithBestReceptor.cpp
example has been rewritten to improve performance.