ADL: Bond N-O

tanos at ime.eb.br tanos at ime.eb.br
Wed May 7 20:23:32 PDT 2008


     Dear autodcok users,
     I'm trying to perform a docking study of a compound containing a  
N-OH bond but ADT is not recognizaing the N-OH bond. I'm generating  
the "ligand.pdbq" file, from the "ligand.pdb" file, in the Dundee  
PRODRG site. When ADT opens the "ligand.pdbq file", generated by the  
Dundee PRODRG site, it does not recognize the bond N-OH and the OH is  
discarted from the docking. Why does it happens ? How could I fix it ?
     Best whises.
     Tanos C.C. Franca.
     IME
     Rio de Janeiro - RJ
     Brazil

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