> Added first version of popup to efficiently link NOE peaks to existing
> resonances given shift and structure information.
This item is worth highlighting a bit. This popup is built in a similar
vein to Link Peak Lists and Link Seq Spin Systems.
The idea is that you can quickly go through an NOE peak list and zoom to
different window views of the peaks, get a list of possible assignments
and see possible/assigned connections on a structure.
The assignment possibilities in the lower table are ranked by distance (if
you have a structure) as well as shift delta, and are colour coded. There
is also the option to predict NOE peaks (goes in a different list) in the
vicinity of a real peak so you can see what matches in the structure.
Hopefully this system makes it easy to check that you've not missed any
contributions to your NOE peaks...
T.
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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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