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 SetTorsionLibrary method can also be used to change the torsion library.

Documentation changes

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