ADL: get-dockings in AD4

Antje Wolf antje.wolf at scai.fraunhofer.de
Fri Jan 18 08:43:30 PST 2008


Can I use get-dockings (from AutoDock3) on the dlg files of AutoDock4? I 
am uncertain because of the atom types.

Or is there another way of extracting the conformations? These scripts 
like write_lowest_energy_ligand.py are saving the coordinates only in 
pdbqt format. I need them in pdb or mol2.

Any idea or experience?

Thanks,
Antje


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