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Article ID: 1103 - Last Modified:

Does Schrödinger have any tools available to help with the identification of crystallographic waters?

Yes there is a "Water Placement" tool in our X-ray crystallography product, PrimeX. You can access it via Applications → PrimeX → Task → Water Placement. For more information on using this feature, please refer to the PrimeX User Manual, section 8.2 "Placing Water Molecules".

Keywords: water placement, PrimeX, x-ray refinement

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