Hi everybody,
Is there a rule for setting masks for donors and acceptors for ligands?
For example a ligand (LIG) with only one polar group like CCCCCOH what would be the masks for the OH group? The masks below are obviously wrong.
#-- Donors from ligand
donor mask :LIG.O
#-- Acceptors from ligand
acceptor mask :BOM.O :BOM.OH
Any suggestions would be of great help
Best regards
George
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Received on Wed Jun 09 2010 - 07:00:03 PDT
