Trusted, Bureaucrats
4,223
edits
Changes
m
<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{{#lst: [http://dx.doi.org/10.1039/b702202f 10.1039/b702202f).Citations|dAuvergneGooley07}}* [*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{{#lst: [http://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).Citations|dAuvergneGooley08b}}* [*Fushman et al., 1998] Fushman, D., Tjandra, N., and Cowburn, D. (1998). Direct measurement of 15N chemical shift anisotropy in solution. ''J. Am. Chem. Soc.'', '''120'''(42), 10947-10952. (DOI{{#lst: [http://dx.doi.org/10.1021/ja981686m 10.1021/ja981686m]).Citations|Fushman98}}* [*Morin and Gagné, 2009] Morin, S. and Gagné, S. (2009). Simple tests for the validation of multiple field spin relaxation data. ''J. Biomol. NMR'', '''45''', 361-372. (DOI: [http{{#lst://dx.doi.org/10.1007/s10858-009-9381-4 10.1007/s10858-009-9381-4]).<section end=references/>Citations|MorinGagné09}}
{{lowercase title}}
{{infobox relax release| version = 1.2.13| prev = 1.2.12| next = 1.2.14| keywords = Consistency testing of relaxation data| type = Features and major bugfix| date = 19 April 2008| manual = no}} == Description ==
<section begin=description/>
This release introduces new features and fixes a number of important bugs. The most significant feature is the [http://www.nmr-relax.com/manual/Consistency_testing.html consistency testing of relaxation data from different field strengths ] using the J(0), F<sub>η</sub> and F<sub>R<sub>2</sub></sub> values [Morin and Gagné, 2009][Fushman et al., 1998]. Important bugs which have been fixed include the failure of Monte Carlo simulations when model-free model '[[m0' ]] is encountered causing the parameter errors for all subsequent residues to be zero, the failure of reading of Art Palmer's Modelfree 4 [[Modelfree4]] 'mfout' file, and the handling of missing structural data. For a full description of the additions and fixes, please see below.
<section end=description/>
== Download ==
<section begin=download/>
<section end=download/>
== CHANGES file ==
<section begin=metadata/>
<section end=metadata/>
=== Features ===
<section begin=features/>
* [http://www.nmr-relax.com/manual/Consistency_testing.html Consistency testing ] has been added allowing datasets recorded at different magnetic fields to be checked using the consistency function values J(0), Feta, F<sub>η</sub> and FR2F<sub>R<sub>2</sub></sub>.
* The 'full_analysis.py' script[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b] can now perform a model-free analysis in the absence of structural data.
<section end=features/>
=== Changes ===
<section begin=changes/>
<section end=changes/>
=== Bugfixes ===
<section begin=bugfixes/>
* The parameters Dpar D<sub>∥</sub> and Dper D<sub>⊥</sub> are now properly checked upon initialisation of this spheroidal diffusion tensor.
* Initialisation of an empty diffusion tensor to the default values of zero now works.
* The default value of the Iinf I<sub>∞</sub> relaxation curve fitting parameter can now be set.* Fix for the complete failure of the reading in of Art Palmer's Modelfree 4 [[Modelfree4]] 'mfout' results file ([https://gna.org/bugs/?8997 see bug #8997]).* Fix for a rare ZeroDivisionError during Monte Carlo simulations ([https://gna.org/bugs/?11004 see bug #11004]).* relax no longer fails if XH bond vectors cannot be extracted from a PDB file ([https://gna.org/bugs/?11378 see bug #11378]).* The [http://www.nmr-relax.com/manual/relax_data_display.html relax_data.display() user function ] no longer fails ([https://gna.org/bugs/?11383 see bug #11383]).* The selection of model-free model '[[m0' ]] causes Monte Carlo simulations to fail resulting in zero errors from that residue onwards ([https://gna.org/bugs/?11476 see bug #11476]).* Another column fusion bug in Modelfree 4[[Modelfree4]]'s 'mfout' results file can be handled ([https://gna.org/bugs/?11483 see bug #11483]).
* Optimisation fix - the steady-state NOE value, gradient, and Hessian is now properly calculated when an order parameter of exactly 0.0 is encountered.
<section end=bugfixes/>
== Links == <section begin=links/>For reference, the following links are also part of the announcement for this release:* [http://wiki.nmr-relax.com/Relax_1.2.13 Official release notes]* {{gna link|url=gna.org/forum/forum.php?forum_id=1872|text=Gna! news item}}* [http://article.gmane.org/gmane.science.nmr.relax.announce/19 Gmane]* [http://www.mail-archive.com/relax-announce%40gna.org/msg00011.html Mail archive]* [https://mail.gna.org/public/relax-announce/2008-04/msg00000.html Local archives]* [http://marc.info/?l=relax-announce&m=135070664625002&w=2 MARC]<section end=links/> == Announcements ==
{{:relax release announcements}}
== References ==
<HarvardReferences />
== See also ==
* [http://www.nmr-relax.com/api/1.2/ The relax 1.2 API documentation]
{{:relax release see also}}
[[Category:Consistency testing analysis]]
[[Category:Model-free analysis]]