Shape TK 3.6.2

New features

• The following preliminary API classes have been made permanent.

  • OEColorFFParameter

  • OEFlexiOverlapFunc

  • OEFlexiOverlapOptions

  • OEFlexiOverlapResults

  • OEFlexiOverlay

  • OEFlexiOverlayOptions

• New methods, SetAtomStrength and GetAtomStrength, have been added that allow multiplying the contribution of shape overlap for any atoms, without adding an additional atom or Gaussian.