ADL: "As" atom type in Autodock Vina

Chitrak Gupta chgupta at mix.wvu.edu
Sat Jan 20 12:07:35 PST 2018


Thanks for the inputs. Really appreciate it.


Regards,
Chitrak.

On Sat, Jan 20, 2018 at 12:54 AM, Sundar <jubilantsundar at gmail.com> wrote:

> Chitrak,
>
> Following pages may help.
> http://autodock.scripps.edu/faqs-help/faq/how-do-i-add-
> new-atom-types-to-autodock-4
> http://autodock.scripps.edu/faqs-help/how-to/adding-new-
> atom-parameters-to-autodock/?searchterm=parameters
>
> Thanks,
> Sundar
>
> On Fri, Jan 19, 2018 at 11:49 PM, Sundar <jubilantsundar at gmail.com> wrote:
>
> > 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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> >>
> >>
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> >>
> >
> >
> ________________________________________________
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>


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