ADL: atom types

Vitor Hugo Teixeira vitor.at.ualg at gmail.com
Thu Jun 18 08:01:22 PDT 2009


Hi!

Thanks for the answer, but the thing is that I used a pdbqt file from an
AutoDock4.0 run that was built by AutoDockTools. When I tried to run it just
like that I get a message saying that it does not recognise "FE", the same
thing if I change the last column by a ZN. Later I tried with Fe, and I ran,
but since that is not the default from AutoDockTools, and I did not find
which atom types are supported by vina, I was not sure if the program was
realy using Fe or F.

If I'm correct, for atoms like Fe and Zn, I have to change the last column
character in pdbqt (e.g. FE -> Fe). Is this correct.

Thank you!

Vitor Teixeira


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