[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #7, bug #24131 (project relax): To add on my earlier comment: When encountering a spin without data, I get the above error message about missing interatomic interaction. If I define interactions with: interatom.define(spin_id1='@N', spin_id2='@H', direct_bond=True) the

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #8, bug #24131 (project relax): Try running 'svn up' again. After creating the system test and making it pass, I found other system tests failing and fixed those (see comment #5 below). The behaviour should now be quite different, but I don't know if everything is fixed, so

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Update of bug #24131 (project relax): Status: Fixed => In Progress Open/Closed: Closed => Open ___ Reply to this item at:

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #9, bug #24131 (project relax): Unfortunately, it didn't pass … Run the attached (almost identical) scripts and see if you can reproduce what I see. fails_missing_interaction.py –– fails because there is no interaction defined. fails_duplicate_interaction.py –– fails because

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #12, bug #24131 (project relax): Ok, a new fix has been committed (see comment #11 below). Could you please check again? Note that the RelaxError from the fails_duplicate_interaction.py script should be there, as the interatomic N-H interaction is already defined.

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #13, bug #24131 (project relax): Looks great! Relax now wrote out the data from the whole data pipe without complaining. And the str file looks rather complete at the first glance. Thanks a lot for resolving this so quickly! :)

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Update of bug #24131 (project relax): Status: In Progress => Fixed Open/Closed:Open => Closed ___ Follow-up Comment #14: No problems - this

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #6, bug #24131 (project relax): The file I attached earlier contained only one spin with no relaxation data. Whith the latest svn version, the absent spins get skipped. Check the file spins-6-7.bz2, where really are two residues, one without and one without data … Now relax

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Update of bug #24131 (project relax): Status: Need Info => Fixed Open/Closed:Open => Closed ___ Reply to this item at:

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #3, bug #24131 (project relax): I would have guessed this to be the problem, but I need to check why it is not skipped. The system test is important to check if the bug is fixed, and that it never returns. Cheers! ___

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Follow-up Comment #2, bug #24131 (project relax): This was fast! I attached a file ("two_spins.bz2") with two residues, residue 6 (without an s2 parameter) and residue 7 (with an s2 parameter). After deleting the spin with the missing value, write.bmrb went through just fine. So I suppose the

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'

URL: Summary: BMRB export fails with 'SpinContainer' object has no attribute 's2' Project: relax Submitted by: mab Submitted on: Mon 30 Nov 2015 02:37:31 PM UTC Category: relax's source code

[bug #24131] BMRB export fails with 'SpinContainer' object has no attribute 's2'.

Update of bug #24131 (project relax): Specific analysis category:None => Model-free analysis Status:None => Need Info Assigned to:None => bugman Operating System: