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Commit Date  
[r17575] by bugman

Fix for bug #20201 (https://gna.org/bugs/?20201).

The bruker.read user function can now handle the situation where multiple spins per residue are
already loaded prior to the user function call. The isotope value from the DC file is now
translated to the element name and this is used as part of the spin ID string.

2012-09-27 14:29:40 Tree
[r17574] by bugman

Removed the 'force flag' text from the RelaxWarning messages output by the bruker.read user function.

The force flag arguments of the generic_fns.mol_res_spin.name_spin() and
generic_fns.mol_res_spin.set_spin_isotope() functions can now be set to None to suppress the text.

2012-09-27 14:14:47 Tree
[r17573] by bugman

Fixes for the checks in the Mf.test_mf_auto_analysis() GUI test for the recent test suite data changes.

2012-09-27 08:08:12 Tree
[r17572] by bugman

The CSA setting in the model-free auto GUI analysis now defaults to the '@N*' spin ID.

Previously no spin ID was being used so that the protons where also having their CSA values set to
that of the nitrogens. Now the execution checking code skips the proton CSA check.

2012-09-27 08:07:03 Tree
[r17571] by bugman

Added star versions of the standard spin IDs to the spin ID GUI element (e.g. '@N*', '@H*').

2012-09-27 08:05:14 Tree
[r17570] by bugman

Removed some debugging printouts.

2012-09-27 08:04:22 Tree
[r17569] by bugman

Fix for the comment on the 'Export' button in the BMRB export window.

2012-09-27 08:04:04 Tree
[r17568] by bugman

Lots of editing of the model-free GUI section of the user manual.

2012-09-27 08:03:08 Tree
[r17567] by bugman

Fix for bug #20197 (https://gna.org/bugs/?20197) - the PyMOL and Molmol macro failure.

The macro creation now only operates on spins called 'N' and assumes these are the backbone
nitrogens. The sidechain tryptophan indole NH data will need to be detected and added later.

2012-09-25 16:46:03 Tree
[r17566] by bugman

Fix for the Relax_data.test_delete system test for the changes to the relax_data.read user function.

2012-09-25 15:07:18 Tree
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