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Changes
Added the dauvergne_protocol refs.
* Fixes for the structure.load_spins() user function docstring for RNA/DNA work.
* The n_state_model.select_model() user function can now change the model.
* Added a maximum global iteration arg and check into the dauvergne_protocol.py module[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b].
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* Fix and updates to the generic_fns.angles.wrap_angles() function.
* Fix for the internal structural object PDB writing - the TER records are between the ATOM and HETATM records.
* Fixed a final model-free analysis failure in the d'Auvergne protocol, the auto-analysis behind the full_analysis.py script [d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b] (bug #15874).
* Fixes for the N-state model when RDC or PCS data is missing.
* Fixed the Q-factor calculating functions to handle missing RDC or PCS lists.
* Fix for when structural models are loaded out of order.
* Fix for the 'population' N-state model whereby the last probability can have a negative value.
* The infinite looping around the universal solution in the dauvergne_protocol module [d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b] is now being caught (for the full_analysis.py script).
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{{:relax release announcements}}
= 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://dx.doi.org/10.1039/b702202f 10.1039/b702202f).
* [*d'Auvergne and Gooley, 2008b] 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://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).
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= See also =