Hello,
When I further refine my structure the N+1 is gone and it becomes a
normal N again. So it is very much possible this is related to geometry.
Thanks everyone (Esp. to Jon) for the input!
Sam
On Fri, 16 Oct 2020 at 19:31, Jon Cooper
wrote:
> Hello Sam
>
> thanks for the pictures. It
Hello Sam
thanks for the pictures. It looks like the guanidinium group of the first Arg
is not very planar. I don't know the detailed nuts-and-bolts of how Coot and
Refmac handle this but the problem may arise from the initial geometry at the
affected nitrogen being off-target.
Best wishes,
Dear all
I attach herewith the Arg concerned. I actually saw no issue in Coot when I
checked residue info. The issue was repeatable using both Refmac from Coot
and from CCP4i. I rectified the issue simply by changing "N+1" back to "N"
using a word editor, but would surely be glad to know more
Hmm - I have never seen anything like that - the monomer for ARG has no N+1
elements..
Garib? Rob?
Eleanor
On Thu, 15 Oct 2020 at 15:08, Sam Tang wrote:
> Dear colleagues
>
> I am trying to refine a structure with Refmac and the work completes
> without any warning. However I am a bit puzzled
Hello, can you possibly show us a couple of screenshots with atom labels of the
affected side chain and a normal one?
Best wishes, Jon Cooper. jon.b.coo...@protonmail.com
Original Message
On 15 Oct 2020, 15:07, Sam Tang wrote:
> Dear colleagues
>
> I am trying to refine a
