Hi
I have the following output from getboundResonances that seems to be
abberrant
resonance_get_assignment(top.project.currentNmrProject.resonances[91].resonanceSet.resonances[0])
for resonance in
getBoundResonances(top.project.currentNmrProject.resonances[91],recalculate=True):
print resonance_get_assignment(resonance)
141.Ca
141.H
145.H ****
now 145.H dooesn't seem to be a one bond connection...
nb definition of resonance_get_assignment
>>> def resonance_get_assignment(resonance):
... result =`None`
... if resonance:
... residue = getResonanceResidue(resonance)
... if residue:
... seqId = '%d' % residue.seqId
... else:
... seqId = '{%d}' % resonance.serial
... result = '%s.%s' % (seqId, getResonanceName(resonance))
...
... return result
regards
gary
--
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Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: [log in to unmask] Fax +44-113-2331407
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