I don't think that that's what Xiao Lei means.
I think that Xiao Lei refers to the problem of assignment of rotamer, tautomer and ionisation state
described here:
https://www.chemcomp.com/journal/proton.htm
Coot can't do that
(yet).
Regards,
Paul.
On 13/09/2017 02:27, Murpholino Peligro wrote:
> Not sure if coot, but maybe molprobity can help.
> http://molprobity.biochem.duke.edu/help/reduce_guide/reduce_guide.html
>
>
>
> 2017-09-12 19:10 GMT-05:00 Xiao Lei <[log in to unmask] <mailto:[log in to unmask]>>:
>
> Dear All,
>
> Can I correct protonation state in His side chain in Coot?
>
>
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