On 23/06/10 14:40, Fatima wrote:
Dear all,
I'm finishing a refinement using SHELX and Coot (1.3A) and I have a modified
Arginine. There’s a blob of positive density (9.04 and 7.01 sigma) binding NH2
in the 2 conformations. I think it could be a hydroxyl there.
1) How can I add that in Coot?
Centre on the residue you want to replace, then,
Extensions -> Modelling -> Replace Residue -> HAR -> Mutate
(that presumes that you have want an N-omega-hydroxyl-arginine)
2) Does SHELXL recognise modified residues?
Hmm... pass.
How can I get restraints then, by using PRODRG?
Libcheck (in this case). Coot runs libcheck for you.
Paul.
