ADL: help virtual screening

venkat vkabas at yahoo.com
Wed Jun 3 15:36:12 PDT 2009


Hi all

I would like to do virtual screening using autodock / vina.

I do download the mol2 file from database, which has more than 1000, compounds.
Spliting all the file to single mol2 and do the pdbqt for docking really time consuming.
Is it any script or command line program that could generate pdbqs for all the mol2 file ?
Or let  me know is ther any efficient way to handle huge database without going through single
pdb for create the input (pdbqs) for docking.

Really appreciate if any one could give some suggestions or any program they could able to share.

thanks
venkat


      


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