Omega TK 2.6.7¶

New features¶

A new torsion library, based on the work of Guba et al. [Guba-2016], has been added. The OETorLib constructor now includes an optional parameter in the OETorLibType namespace to select either the original or new OETorLibType.GubaV21 torsion library. A new overload of the OETorLib.SetTorsionLibrary method can also be used to change the torsion library.

The function OEFlipper now removes molecule coordinates during its processing. This behavior change was introduced in the 2017.Feb release.