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Relax 2.2.2

361 bytes removed, 17:12, 3 November 2015
→‎Bugfixes: Link fix
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{{infobox relax release
| version = 2.2.2
| prev = 2.2.1
| next = 2.2.3
| keywords = Model-free analysis
| type = Minor bugfix
| date = 12 February 2013
| manual = yes
}}
== Description ==
* Fix for [https://gna.org/bugs/?20480 bug #20480, the failure to load a saved relax model-free state in the GUI]. This was reported by [https://gna.org/users/stacy Stanislava Panova]. The problem was that the state file was saved after a RelaxError occurred during the model-free analysis. The GUI data store information states that the active data pipe is called 'final'. But an error occurred prior to the 'final' data pipe being created. The fix was to allow the state to be loaded even if the GUI data store information has been corrupted.
* Fix for [https://gna.org/bugs/?20479 bug #20479 - the failure of non-fully automated model-free analyses in the GUI]. This bug was reported by [https://gna.org/users/stacy Stanislava Panova]. The problem is GUI specific and was when running each diffusion model one after the other. The GUI was setting the base data pipe to the 'final' data pipe, which is a clear error.
* Fix for [https://gna.org/bugs/?20481 bug #20481], the bug where the dauvergne_protocol model-free auto-analysis[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008] expects the prolate and oblate spheroids and ellipsoid to be optimised]. It was caught by the Mf.test_bug_20479_gui_final_pipe GUI test.
* Bug fix for the diffusion tensor PDB creation in the dauvergne_protocol model-free auto-analysis. The call to the [http://www.nmr-relax.com/manual/structure_create_diff_tensor_pdb.html structure.create_diff_tensor_pdb user function] now only occurs if structural data is present.
<section end=bugfixes/>
== References ==
<section start=references/>* [*d'Auvergne and Gooley, 2007] d'Auvergne, E. J. and Gooley, P. R. (2007). Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm. ''Mol. BioSyst.'', '''3'''(7), 483–494. (DOI: [http{{#lst://dx.doi.org/10.1039/b702202f 10.1039/b702202f]).Citations|dAuvergneGooley07}}* [*d'Auvergne and Gooley, 2008] d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ''J. Biomol. NMR'', '''40'''(2), 121-133. (DOI: [http{{#lst://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).<section end=references/>Citations|dAuvergneGooley08b}}<HarvardReferences />
== See also ==
Trusted, Bureaucrats
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