ADL: "As" atom type in Autodock Vina

Sundar jubilantsundar at gmail.com
Fri Jan 19 21:49:27 PST 2018


If you know the answer, at least give a link to the tutorial and direct the
person to the answer.

Thanks,
Sundar

On Fri, Jan 19, 2018 at 10:59 PM, Anil Bhattarai <alcheyanil at hotmail.com>
wrote:

> Everything is in tutorial...Autodock tutorial...jus read and try to
> understand
>
>
> ________________________________
> From: autodock-bounces at scripps.edu <autodock-bounces at scripps.edu> on
> behalf of Chitrak Gupta <chgupta at mix.wvu.edu>
> Sent: Friday, January 19, 2018 4:02 PM
> To: autodock at scripps.edu
> Subject: ADL: "As" atom type in Autodock Vina
>
> Hello,
>
> I am performing a virtual screening of the NCI Diversity set III using
> Autodock Vina. Some of the molecules contain As which Vina doesn't
> recognize. Is there any recommendation on how best to handle it?
>
>
> Thanks and regards,
> Chitrak.
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