OEDocking TK 1.1.0¶
The behavior of
OEDockMethod::Hybridfrom version 1.0 has been changed.
OEDockMethod::Hybridis now an alias for the most up to date docking method, currently
OEDockMethod::Hybrid1now provides the same functionality that
OEDockMethod::Hybriddid in version 1.0 of OEDocking TK.
OEDocking TK is now thread safe. For details on thread safety see the “Thread Safety” section of the OEChem toolkit.
Fixed a bug where OEB handlers were not setup correctly sometimes due to link ordering problems.
Fixed bug generating negative image grids, that caused the negative image to extend further from the protein and penetrate less deeply into pockets than was intended.
Fixed a bug in the local optimization (done during docking or with a call to
OEScore::SystematicSolidBodyOptimize) that caused the local rotations to be less evenly spaced than they could be. This bug also affected the optimization done by the