Article ID: 751 - Last Modified: December 4, 2010
How can I create a SMARTS pattern to use for a positional constraint in Glide?
One useful way to create a SMARTS pattern is to select the desired atoms in the Workspace on a sample ligand, and then use the "Get From Selection" button to have Maestro create the SMARTS pattern for you.
Keywords: SMARTS pattern, positional constraint, Glide, Maestro
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