OEDocking TK 4.1.1¶
A new premilinary API class,
OEROCSQueryModelBuilder, has been added that builds an
OEShapeQueryfrom structure-based data, and can be used as a query to perform an
OEShapeOverlayor ROCS calculation.
Minor bug fixes¶
An issue with redundat SD data after docking a multi conformer molecule using the
OEDock.DockMultiConformerMoleculemethod has been fixed.