Re: [COOT] Pointer Atoms - Potassium

2022-12-05 Thread John Smith
Great, thanks!

On Fri, Dec 2, 2022 at 6:44 PM Paul Emsley 
wrote:

>
> On 02/12/2022 15:30, John Smith wrote:
>
> Dear all!
> I am using Coot 0.9.8.5 EL (ccp4) and I want to add K/potassium ions
> during model building.
> Adding Na and Cl is straightforward, but if I click on Pointer Atom Type
> other, enter K and hit OK, then a grey atom is added, but it does not
> refine.
> *Warning: Failed to match the dictionary.*
> Similar problem occurs if I do it via *Calculate - Modelling - add other
> solvent molecules.* If I specify K as three letter code, it brings up
> potassium ion but it does not refine.
>
> Any tips why this is not working?
>
>
> Thank you John and Steven,
>
> I have pushed a fix - the update should be available shortly. Amazing that
> this bug has lived so long.
>
> Regards,
>
> Paul.
>
>
>



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[COOT] Pointer Atoms - Potassium

2022-12-02 Thread John Smith
Dear all!
I am using Coot 0.9.8.5 EL (ccp4) and I want to add K/potassium ions during
model building.
Adding Na and Cl is straightforward, but if I click on Pointer Atom Type
other, enter K and hit OK, then a grey atom is added, but it does not
refine.
*Warning: Failed to match the dictionary.*
Similar problem occurs if I do it via *Calculate - Modelling - add other
solvent molecules.* If I specify K as three letter code, it brings up
potassium ion but it does not refine.

Any tips why this is not working?
Thank you!

Best regards
John



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