Since no one has answered the SHELX part of this question I'll
jump in. The PRODRG restraints should work as is, assuming you've
named the peptide atoms correctly (C, O, CA, N). But just in case
they don't you can explicitly attach it to the main chain with the
addition of a couple of spare res
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?
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?
2) Does SHELXL recognise modified
