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How do I edit & re-run a Crystal Packing Feature search?


If you have run a Crystal Packing Feature search using Mercury, you can edit and re-run that search either by clicking on Options > Edit within the Searches tab of Mercury or by clicking on Edit Search within the Post Search Options tab of Mercury.

Mercury remembers all the constraints applied during the Packing Feature search set-up including change to element types, number of hydrogens, number of bonds, charge and cyclicity as well as the 3D query itself.