OEDocking TK 1.1.2

Bug fixes

• Fixed bug where OEDocking::OEDockBase::DockMultiConformerMolecule incorrectly returned OEDockingReturnCode.Success in cases where no poses of the molecule that fit in the active site could be found. This method now correctly returns OEDockingReturnCode.NoValidPoses in this case.

Improvements

• Slightly increased speed of Chemgauss4 in both docking and optimization.