> 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.
The new version of SecStructureGraphPopup.py is fine to go on the
update server, so I have just uploaded it.
Along with the fix for carbonyls, you lucky people get the following v1.1
improvements a bit early:
Persistence of the secondary structure type, so that it is remembered
after you reload a project.
Toggling of the secondary chemical shift columns, so you can select Ca,
Cb, CO and Ha separately. - Thus remove unused lines from the plot.
Calculation of CSI directly built into Analysis (As near as I can get
from the Wishart papers).
Inbuilt prediction of whether a Cys residue is oxidised or reduced (from
Cb shifts) so you don't get screwy secondary chemical shifts.
Enjoy,
T.
-------------------------------------------------------------------------------
Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766018 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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