Changes

{{infobox relax release| version = 1.3.2| prev = 1.3.1| next = 1.3.3| keywords = Model-free analysis, NOE analysis| type = Major bugfix| date = 8 October 2008| manual = yes}} == Description ==

This release solves many major bugs in the final stages of model-free analysis, especially when using the 'full_analysis.py' script [d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 20082008b]. This version also marks the return of the NOE analysis. If you are using [[relax 1.3.1|relax version 1.3.1]], it is recommended that you upgrade to [[relax 1.3.2|1.3.2]]. Bugs which have been resolved include: problems reading PDB files; failure of the [http://www.nmr-relax.com/manual/value_set.html value.set], [http://www.nmr-relax.com/manual/fix.html fix] and [http://www.nmr-relax.com/manual/value_write.html value.write] user functions; non-functional [http://www.nmr-relax.com/manual/eliminate.html model elimination]; model selection issues in certain situations; and various Monte Carlo simulation issues.

== Download ==

== CHANGES file ==

Version 1.3.2<br/>(8 October 2008, from /1.3)<br/>

=== Features ===

=== Changes ===

=== Bugfixes ===

* [http://www.nmr-relax.com/manual/value_set.html value.set() ] no longer fails when the parameter being set already exists ({{gna bug #link|12406}}).* Fix for the bug whereby model elimination does nothing for model-free models. This fix may solve other model-free related issues ({{gna bug #link|12407}}).* Model elimination no longer fails when no diffusion tensor is loaded ({{gna bug #link|12408}}).* The error when loading the PDB file through the reading of the results file in the 'final' stage of the 'full_analysis.py' sample script is fixed ({{gna bug # link|12409}}).

* The [http://www.nmr-relax.com/manual/fix.html fix() user function ] works again when the element argument is set to 'all'.

* Monte Carlo simulations were failing due to a missing sequence error ({{gna bug #link|12410}}).* The model elimination error "AttributeError: 'SpinContainer' object has no attribute 'params'." has been fixed ({{gna bug #link|12411}}).* A missing global chi-squared value was causing failure of global model selection ({{gna bug #link|12412}}).* Monte Carlo simulation elimination was removing the simulation not from the affected spin but from all spins ({{gna bug #link|12416}}).* Fix for the failure of the [http://www.nmr-relax.com/manual/value_write.html value.write() user function ] in all analysis types ({{gna bug #link|12418}}).

== Links == <section begin=links/>For reference, the following links are also part of the announcement for this release:* [http://wiki.nmr-relax.com/Relax_1.3.2 Official release notes]* {{gna link|url=gna.org/forum/forum.php?forum_id=1973|text=Gna! news item}}* [http://article.gmane.org/gmane.science.nmr.relax.announce/22 Gmane]* [http://www.mail-archive.com/relax-announce%40gna.org/msg00014.html Mail archive]* [https://mail.gna.org/public/relax-announce/2008-10/msg00000.html Local archives]* [http://marc.info/?l=relax-announce&m=135070664625005&w=2 MARC]<section end=links/> == 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{{#lst://dx.doi.org/10.1039/b702202f 10.1039/b702202f).Citations|dAuvergneGooley07}}* [*d'Auvergne and Gooley, 20082008b] 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}}

== See also ==

[[Category:Model-freeanalysis]]