[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'. -- November 30, 2015 - 15:51

Update of bug #24131 (project relax):

Specific analysis category:                    None => Model-free analysis    
                  Status:                    None => Need Info              
             Assigned to:                    None => bugman                 
        Operating System:        Mac OS X (Intel) => All systems            
                 Summary: BMRB export fails with 'SpinContainer' object has no
attribute 's2' => BMRB export fails with 'SpinContainer' object has no
attribute 's2'.

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Follow-up Comment #1:

I would suggest using the residue.delete user function in a few tests to
narrow this down to one or two spins, then save a new results file.  Using
ranges such as ":1-100" to delete residues 1 to 100 will make this a quick
process.

You could then slightly randomise the data, change the molecule name, etc. all
within the XML file using a text editor.  Note, the number is really stored as
the <ieee_754_byte_array> value, but you can delete this tag if you are
careful.  Or you can edit the values directly as:

cdp.mol[0].res[0].spin[0].s2
cdp.mol[0].res[0].spin[0].relax_data['R1_600']

If you could attach such a truncated and obfuscated results file, I can then
add the file to relax and create a new system test based on the current
'relax_output.txt' file to catch the bug.  Cheers!

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