Re: [COOT] How to biuld the N-terminal H atom and C-terminal OH group in coot?

2021-07-26 Thread Paul Emsley 
On Tue, 2021-07-27 at 03:01 +0100, Yuqi Zhang wrote:

> I have a question. How to build the N-terminal H atom and C-terminal OH group 
> in coot?

Calculate -> Modelling -> Add Hydrogen Atoms will add hydrogen atoms to your 
model
If you want just the N-terminal residue you will have to do a Copy Fragment 
first.

Do have have an example (accession code) where the C-terminus is protonated?

>  Is there any difference in different version? My coot version is 0.8.2.

Yes, Adding hydrogen atoms had been added to Coot within the last 7 years.

Paul.



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Re: [COOT] How to biuld the N-terminal H atom and C-terminal OH group in coot?

2021-07-26 Thread Robbie Joosten 
You might want to upgrade your Coot because you are far behind. Note that the terminal oxygen is not protonated at normal pH. You can add it (OXT) through the "other modeling tools (or something like that)" menu. The N-terminal H will be added through your refinement program. Not sure how to do that in Coot.Cheers,RobbieOn 27 Jul 2021 04:01, Yuqi Zhang <64676fd7756a-dmarc-requ...@jiscmail.ac.uk> wrote:Hi, dear all! 
I have a question. How to biuld the N-terminal H atom and C-terminal OH group in coot? Is there any difference in different version? My coot version is 0.8.2.



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