ADL: Using XSCORE for autodock results

Garima Khare garima1822 at yahoo.co.in
Wed Jan 27 00:52:44 PST 2010


 Dear Autodock users,

I wanted to to use XSCORE to re-rank the top docking results of autodock. The main hindrance I am facing is that the XSCORE uses ligands in the mol2 format. But the autodock gives the dlg for each of the docked ligands. How to convert the results (the best conformation of the docking) into mol2 format for the docked ligand. There is an option using the autodock GUI to do this task one by one but that is almost impractical for 1000's of ligands. Can you help me with this. 

Thanks

Garima Khare


      


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