ADL: Autotors and large sets of ligands

vincenzo.tschinke@speedel.com vincenzo.tschinke at speedel.com
Thu Sep 23 06:09:03 PDT 2004


I am preparing large sets of ligands for docking. It looks like using 
autotors with the 

-r

flag can work in a fully automated fashion, generating all the needed 
"pdbq" files without 
user intervention. Is there any caveat with such procedure? Any (better) 
alternative?

Thanks



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