[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

[task #7882] Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals

Update of task #7882 (project relax): Open/Closed:Open => Closed ___ Reply to this item at: ___ Message sent

Parking of relax, minfx, and bmrblib at GitHub, GitLab and SourceForge.

Hi, For reference, I have set up the following projects/groups, firstly at SourceForge: https://sourceforge.net/projects/nmr-relax/ https://sourceforge.net/projects/minfx/ https://sourceforge.net/projects/bmrblib/ And at GitHub (Troels set up the nmr-relax project here):