The final method to be discussed is
In this method, only one optimization is carried out at the query and the
database molecule’s original coordinates. No inertial starts are optimized.
When using this method, the database intended to be searched must be reloaded
OEShapeDatabase.Open. This ensures that the
database molecules are not centered or set to an inertial frame of reference
as is usually done. When reloading the database,
constant must be passed to the