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Relax 1.3.2

680 bytes removed, 12:49, 14 October 2020
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→‎Links: Fix the broken Gna! forum link by switching to {{gna link}}.
| type = Major bugfix
| date = 8 October 2008
| manual = yes
}}
* Fixed the reading of relax 1.2 model-free results files (identified by the relax data store abstraction).
* Various PDB file loading issues fixed.
* [http://www.nmr-relax.com/manual/value_set.html value.set] no longer fails when the parameter being set already exists ([https://{{gna.org/bugs/?12406 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 ([https://{{gna.org/bugs/?12407 bug #link|12407]}}).* Model elimination no longer fails when no diffusion tensor is loaded ([https://{{gna.org/bugs/?12408 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 ([https://{{gna.org/bugs/? 1240 bug # 9link|12409}}).
* Model elimination is fixed in the 'full_analysis.py' script.
* The [http://www.nmr-relax.com/manual/fix.html fix user function] works again when the element argument is set to 'all'.
* Fix for the duplication of sequence data during model selection.
* Monte Carlo simulations were failing due to a missing sequence error ([https://{{gna.org/bugs/?12410 bug #link|12410]}}).* The model elimination error "AttributeError: 'SpinContainer' object has no attribute 'params'." has been fixed ([https://{{gna.org/bugs/?12411 bug #link|12411]}}).* A missing global chi-squared value was causing failure of global model selection ([https://{{gna.org/bugs/?12412 bug #link|12412]}}).* Monte Carlo simulation elimination was removing the simulation not from the affected spin but from all spins ([https://{{gna.org/bugs/?12416 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 ([https://{{gna.org/bugs/?12418 bug #link|12418]}}).
<section end=bugfixes/>
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]
* [https://{{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]
== 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, 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{{#lst://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).<section end=references/>Citations|dAuvergneGooley08b}}
<HarvardReferences />
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