> "/home/roberto/bin/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/AssignmentBasi
> c.py", line 901, in makeAtomSetsGuiName
> while atomName[i] == tryName[i]:
> IndexError: string index out of range
As Wayne mentions this results from a problem much further upstream,
something is awry before the error message. I suspect that a resonance has
become linked to two different types of atom (in terms of chemical
element). Now obviously Analysis tries to forbid this state, but there
is a point when it would be technically possible.
I suspect that resonances of different isotopes were merged and the
"assignNames" (which would be used when moving residue assignments) ended
up something dumb like "('CA','HA')".
I have posted fixes to check for nonsese in both merges and assignNames.
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
-------------------------------------------------------------------------------
------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2- -------
-------------------------------------------------------------------------------
|