ADL: virtual screening

Diogo Martins diogo.stmart at gmail.com
Fri Aug 28 09:56:06 PDT 2020


Dear Eiichi,

It could be, for example, a ROOT or BRANCH keyword in the receptor .pdbqt.
Can you post the exact error message?

Best regards,

On Fri, 28 Aug 2020 at 00:10, <horse16031603 at yahoo.co.jp> wrote:

>
> Dear honorable AutoDock users:I have downloaded over 500 pdbqt 3D
> molecules from ZINC15, and tried to perform virtual screening by using
> AutoDock Vina. But I get error massages saying "in line  and such line,
> there is unknown or inappropriate tag". Is there any way to download the
> file avoiding these error massage. Or is there any way to do the virtual
> screeningavoiding the error.Your help is greatly appreciated.Eiichi
> ________________________________________________
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