Shape TK 1.9.0

New features

  • OEBOOrientation.Subrocs has been added as a new starting position method. This method is very similar to OEBOOrientation.InertialAtHeavyAtoms, except that it automatically uses the heavy atoms and center-of-mass of the larger molecule when determining starting positions.
  • OEShapeQueryPublic has been added for reading shape queries. This is an initial public implementation with limited functionality.

Major bug fixes

Minor bug fixes