Article ID: 1321 - Last Modified: June 5, 2013
Is there a limit on the size of structures that can be cleaned up with Clean Up Geometry?
Starting with the 2010 release (Maestro 9.1), the built-in minimizer with the OPLS_2005 force field is used to clean up the geometry. It does not have a structure size limit, but is limited in the range of elements supported.
Up to the 2009 release (Maestro 9.0), and if the option is set in later versions, the UFF minimizer is used. The UFF minimizer has an atom limit, which was increased from 300 to 5000 for the 2013-1 release. It can be slow for large structures.
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