OEDocking TK 4.2.1

New features

Major bug fixes

  • The Dock method in OEPosit now returns poses instead of a failure, if there is a failure during flexible optimization.

  • An issue that caused intermittent crash for specific calculations on specific platforms when working with OEPosit has been fixed.

  • OEPosit now accurately returns NoValidNonClashPoses as status when the predicted pose contains clashes based on the defined clash allowed type. Note that the clashed poses can still be retrieved from the resulting OESinglePoseResult if desired.

Minor bug fixes

Documentation changes