ADL: New Atom Type in Autodock Vina
trott at scripps.edu
Wed Jun 17 10:23:03 PDT 2009
On Tue, Jun 16, 2009 at 7:29 AM, Malte
Kokoschka<malte.kokoschka at ruhr-uni-bochum.de> wrote:
> Dear all,
> I would like to add the new atom type Iridium to Vina.
Not presently possible.
> Is this possible and
> does anyone have a suggestion for Iridium parameters?
The best you can do is replace it in the input PDBQT with the closest
analog that's accepted.
Best of luck,
Oleg Trott, Ph.D. (Columbia University)
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