On a different note:
We are using Igors macro (thanks Igor) for 3D 13C spectra assignment. It
would be really useful to have a
partner macro to this one, which would do the equivalent of ANSIGs
C_Sym. In this macro one could click
on a crosspeak in, say a 13C-NOESY, (lets say for example CA:hg:ha) and
the macro would pull out the
symmetrical proton co-ordinates (hg:ha) and display a user-definable
1H-1H region around this.
To identify the partner peak's CG shift assignment, the 13C scroll bar
for this displayed region is left wide
open, so you are actually looking down a narrow 13C column within the
spectrum. The symmetry peak
CG:ha:hg would then have to be somewhere in this 13C column at the
expected 1H shifts. CG can then be
found by closing up the scroll bar manually until you come across the
correct13C shift of the peak.
In this way, one can effectively use a 3D 13C-separated spectrum as a
pseudo-4D to assign peaks and their
symmetry-related partners.
Has anyone done anything like this in Analysis?
cheers
Linda
|