Dear Mam/Sir
How could I consider just the water molecules within the distance of 1 angstrom around the ligand.
Is the below commands correct?
donor mask :ligandname <:1.0 & :WAT.O
acceptor mask :ligandname <:1.0 & :WAT.O :WAT.H1
acceptor mask :ligandname <:1.0 & :WAT.O :WAT.H2
Best
Shirin Jamshidi
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Received on Mon Dec 19 2011 - 09:30:04 PST
