> The ability to make peaks from restraints in a peaklist of your choice,
> even when the restraints come from outside of CCPN (and thus have not
> spectrum links), will appear soon.
I have just added this at:
Menu::Peaks::Current Peak Lists:[Make from Constraints]
This option attempts to make peaks in a new peak list under the selected
spectrum using the selected distance restraint list.
Note that if the restraints have links to peaks in the selected spectrum,
from which they were derived, then the new peaks will be copies (in terms
of location and intensity) of the old peaks, but the assignments will come
from the restraints. In this situation ambiguous restraints result in
ambiguously assigned peaks.
If there are no original peaks under the selected spectrum, then new peaks
will be positioned using the known chemical shifts, considering all valid
resonance:dimension permutations (i.e. it can make reciprocal peaks). Only
peaks within the current spectrum bounds and which carry assignments
appropriate to the spectrum dims will be created: Thus you can use
restraint lists that are derived from multiple spectra and only the
relevant peaks will be created. In this situation ambiguous restraints
result in multiple peaks (one per peak restraint item), given that the
original peak position is neither known nor easily calculated
In both situations, any resonances that are directly bound to the
restrained resonances will be assigned to the peak dimensions that
represent 'onebond' connections to the dimension of the same restrained
resonance.
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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