Prompted by this email (for some reason the original email never
arrived, but the subsequent ones did, fortunately) Tim says he has now
added sequence alignment functionality to the shift differences popup (so
for v2.0.7). There is a "Use Sequence Alignment" check button in the
frame at the top right. And the Sequence Alignment tab will show how the
two chains match up. It seems (from what Tim just showed me) that you
will need at least one common assignment between the two chains before
they will appear in that tab.
A couple of caveats. First of all the program looks at all chains for
each peakList and tries to determine the best alignment. As of now, there
is no way to second guess this.
And Tim says that this is very preliminary, so there are likely to be
bugs, so please do email any problems.
On Thu, 2 Jul 2009, Sarah Jane Smith wrote:
> Hi everyone,
> I am looking for some help comparing shift lists. I have recorded a series
> of HSQC spectra for different mutants of the same protein, and I would like
> to analyse the changes in chemical shift that these mutations cause.
> Firstly I tried to do this using the "shift differences" popup in the data
> analysis tab, but I could not get the shift list comparison for the two
> spectra to display (however the shift list comparisons would display to
> compare the HSQC for the WT and the triple res data for the WT). I then
> tried to make an NMR series (to follow these changes with the "follow shift
> changes" popup), but this doesn't seem to work for me either, because in the
> condition variable (in the NMR series popup) there is no option for such
> mutants as the variable.
> Does anyone know the best way to get a shift list comparison and/or
> histograms to compare my mutants?
> Thanks so much for your help,