Shape TK 1.9.0¶
OEBOOrientation::Subrocshas 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.
OEShapeQueryPublichas been added for reading shape queries. This is an initial public implementation with limited functionality.