Dear Mam/Sir
How could I consider just the waters molecules within the distance of 1 angstrom around the ligang.
Is th below commands correct?
donor mask :ligandname <:5.0 & :WAT.O
acceptor mask :ligandname <:3.0 & :WAT.O :WAT.H1
acceptor mask :ligandname <:3.0 & :WAT.O :WAT.H2
Best
Shirin Jamshidi
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Received on Mon Dec 19 2011 - 09:30:03 PST
