Hello Renate Gessmann,
On 11/04/14 04:19, Renate Gessmann wrote:
How do I complete a residue when I have only one atom (for example
the SG in Cys as part of a disulfite bond), but nice density without neighboring
residues? So, a 'add terminal residue' is not possible,
If I understood correctly, you want to add a Cys, connected via a
disulfide bond to a Cys that you have already. If so, then yes, you are
right, "Add Terminal Residue" is not useful for you, as that adds only
via peptide links.
and if possible, I would like not to go to 'Ca-baton-mode'.
Very reasonable. And that also only adds via peptide links.
Same problem arises when the C=O group somewhere
is missing.
Yes, that's right. Coot needs 4 backbone atoms (I think).
Here the workaround is, to delete the other atoms of the residue and
to 'add a terminal residue'.
Yes, that's right (and is part of the tutorial).
If I place the missing atoms 'on
pointer', they have a different name and chain,
Different names? Not sure that I agree with that - the atom names and
the residue name should be correct. Get monomer will create a new
molecule sure, you can merge that in with the current one...
so I have to leave
coot to edit it correctly.
You can renumber and change change ids in Coot - it's a bit clumsy a the
moment though. It should be more clever.
There is surely something more easy.
:-(. But maybe I misunderstood.
If you have the main-chain atoms in place, then you can complete the
residue with side-chain atoms using fill-partial-residue (which I have
bound to the "k" key).
Hope this helps.
Paul.
