On 05/01/2017 17:52, Luca Pellegrini wrote:
>
> I have created an unnatural amino acid (ua1.pdb, ua1.cif) in JLigand, I have added it to
> my structure and fitted it into the density. Now how do I tell Coot, when I regularise
> the local structure, to keep the peptide bond stereochemistry with the preceding and
> following amino acids?
The way I would do this is
1) read in the ua1.cif dictionary file
2) Extensions -> Modelling-> Replace Residue
To answer your question though:
You don't need to do anything special. Just make sure that you the group field is true (in
this case "peptide").
Paul.
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