Oh, for readability it might be worth having an empty line before each comment and subsequent block of code. It makes it easier to read and understand the code. As for the mailing list, a 'reply to all' option should CC the email to the relax-devel list as well as the person you're responding to. On 12/01/06, Edward d'Auvergne <edward.dauvergne@xxxxxxxxx> wrote: > 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? >