ADL: "As" atom type in Autodock Vina

Sundar jubilantsundar at gmail.com
Fri Jan 19 21:54:10 PST 2018


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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