[Relax-devel] Relaxation data structure bug fix. (January 12, 2006 - 05:37)

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Chris,

Good idea to pop the empty data out after the fact.  It's a nice and
simple fix.  There will, however, probably be a problem with the
residue specific data structure 'noe_r1_table[]'.  As the pop commands
are run, the indexes in 'noe_r1_table' will need to be changed to a
different integer or to None.  This structure is essential for
minimisation.

It may be easier to shift your code into the file
'specific_fns/relax_data.py' and into the bizarrely named function
'add_residue()', probably around line 90 but before the 'num_ri' and
'num_frq' assignment.  The the 'noe_r1_table' structure will then be
correctly constructed and you won't need an algorithm to fix the
structure post construction.  What do you think?


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