[phenixbb] How to generate metal coordination restrain

[Nigel Moriarty]

Shramana

Are not the .edits files for the metal coordinates?

Re Coot: Coot is a different program and uses it's own algorithm for metal
restraints. If you want them for Coot, you may have to contact the author,
Paul Emsley.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov


On Wed, Sep 16, 2020 at 5:02 PM Shramana Chatterjee <schatter90 at gmail.com>
wrote:

> Hi,
>
> I am trying to generate restraints for metal ions. Ready set is processing
> the pdb but it is not generating any output file. I don't want to add
> hydrogens to the model. Therefore readyset is generating only .edits file
> and finally I am unable to get any metal coordination restrains in Coot
>
> It would be very helpful if I get any suggestions about the
> above-mentioned problem.
>
> Thank you in advance.
>
> Regards,
> Shramana
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