ADL: Grid co-ordinates!!!

raghu bhagavat rag_vocal at yahoo.co.in
Wed Apr 1 06:38:57 PDT 2009


Hello all........
I have a query in AD Vina version........
the configuration file has to be given with x, y, z coordinates for building the grid...What if we dont know where the ligand has to bind.....This will arise in while doing Virtual screening......
When we use Autodock4 version on command line, the "auto" option is done if the grid-centre is not specified and it runs taking the option "auto"..........But unlikely in Vina version..........

So for mass operations (Virt. Screening), how to proceed for this problem??

Kindly suggest



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