[Chimera-users] Regarding getting zwitter-ionic stucture of beta-alanine

[Dilip H N]

Ie.,
The beta-alanine neutral form is in NH2-CH2-CH2-COOH, but i want its
zwitterionic form which is NH3+-CH2-CH2-COO-

Any suggestions..??

Thank you.



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On Fri, Feb 9, 2018 at 10:37 AM, Dilip H N <cy16f01.dilip at nitk.edu.in>
wrote:

> Hello,
> I was able to get the beta-alanine neutral structure in chimera using the
> PubChem id ie., 239.
> But i want beta-alanine in its zwitterionic form since in water systems it
> will be in more stable in zwitterionic and i can run the simulation.
>
> So, how do i get it in zwitterionic form..??
>
> Any suggestions are appreciated.
>
> --
> With Best Regards,
>
> DILIP.H.N
> Ph.D Student
>
>
>
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-- 
With Best Regards,

DILIP.H.N
Ph.D Student
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