Hi all,
To follow up on this, the chemical shifts had to be exactly the same
(to the n-th decimal) for the ambiguity code to be 1. I've now changed
this so that it has an accuracy of 3rd decimal place, which means that
this:
> 42 5 Leu HB2 H 1.525 0.004 2
> 43 5 Leu HB3 H 1.525 0.004 2
will become:
> 42 5 Leu HB2 H 1.525 0.004 1
> 43 5 Leu HB3 H 1.525 0.004 1
but this:
> 3033 246 Glu HB2 H 2.019 0.000 2
> 3034 246 Glu HB3 H 2.020 0.003 2
will stay the way it is.
Hope that works for most,
Wim
PS This is not yet on the update server, but will be soon!
|