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  • FastROCS TK 1.8.4

FastROCS TK 1.8.4

New features

  • A new Python example script, BestShapeOverlayMultiConfQuery.py, has been added to perform a query search for every conformer of the query molecule and save the sorted results sequentially in a single file for each query molecule.

Minor bug fixes

  • A small modification has been made to ShapeDatabaseServer.py to reduce the number of server-related messages when running a query search via the client/proxy interface.