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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<http://gna.org/bugs/?24131>
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