Mystery solved, thanks to Ben emailing me with his equivalent snapshot
which got me to check the release file as well as my file. The problem is
that the CO has been fixed in SecStructureGraphPopup.py since the last
release and the updated code has not been put on the update server.
However a lot else has changed in that file since the last release (e.g.
over 200 lines added), and I would not want to put it as is on the update
server without asking Tim first (because the odds are it will break
something). So for now, if you edit the code in that file (which is in
ccpnmr1.0/python/ccpnmr/analysis) and change the CO to C on lines 395 and
626 (not the d_co in that last line, that is ok), then I hope that will
sort this out.
Wayne
On Wed, 29 Aug 2007, Wayne Boucher wrote:
> Hello,
>
> Tim will have to answer this one properly, but I just had a look at the
> code and it seems to be asking for C, not CO. It also checks some random
> coil values from the BMRB and as far as I can tell the name is C inside
> there as well, rather than CO. I just tried assigning a random peak to C
> in some random residue (using the assignment dialog) and it did show up in
> the d13CO column. Also, I just checked that project you sent me yesterday
> and it does have entries in that column. (I'll send a snapshot in a
> separate post.) So I'm not sure what is going on for you.
>
> Wayne
>
> On Tue, 28 Aug 2007, Ben Goult wrote:
>
> > Hi
> >
> > When I try and use the secondary structure analysis, it all seems to work OK
> > except that the Delta d13CO column is blank. I have carbonyl shifts in my
> > project but this column is still blank.
> >
> > I wondered if it was looking for the assign name CO whereas it is actually
> > just called C?
> >
> >
> > Cheers
> >
> > Ben
> >
>
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