Difference between revisions of "Relax 1.3.2"

From relax wiki
Jump to navigation Jump to search
(→‎See also: Added a link to the API documentation.)
m (→‎Links: Fix the broken Gna! forum link by switching to {{gna link}}.)
 
(6 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
{{lowercase title}}
 
{{lowercase title}}
  
= Description =
+
{{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 ==
  
 
<section begin=description/>
 
<section begin=description/>
Line 7: Line 17:
 
<section end=description/>
 
<section end=description/>
  
= Download =
+
== Download ==
  
 
<section begin=download/>
 
<section begin=download/>
Line 13: Line 23:
 
<section end=download/>
 
<section end=download/>
  
= CHANGES file =
+
== CHANGES file ==
  
 
<section begin=metadata/>
 
<section begin=metadata/>
Line 21: Line 31:
 
<section end=metadata/>
 
<section end=metadata/>
  
== Features ==
+
=== Features ===
  
 
<section begin=features/>
 
<section begin=features/>
Line 27: Line 37:
 
<section end=features/>
 
<section end=features/>
  
== Changes ==
+
=== Changes ===
  
 
<section begin=changes/>
 
<section begin=changes/>
Line 35: Line 45:
 
<section end=changes/>
 
<section end=changes/>
  
== Bugfixes ==
+
=== Bugfixes ===
  
 
<section begin=bugfixes/>
 
<section begin=bugfixes/>
Line 42: Line 52:
 
*  Fixed the reading of relax 1.2 model-free results files (identified by the relax data store abstraction).
 
*  Fixed the reading of relax 1.2 model-free results files (identified by the relax data store abstraction).
 
*  Various PDB file loading issues fixed.
 
*  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 #12406]).
+
*  [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 ([https://gna.org/bugs/?12407 bug #12407]).
+
*  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 ([https://gna.org/bugs/?12408 bug #12408]).
+
*  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 ([https://gna.org/bugs/? 1240 bug # 9).
+
*  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}}).
 
*  Model elimination is fixed in the 'full_analysis.py' script.
 
*  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'.
 
*  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.
 
*  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 #12410]).
+
*  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 ([https://gna.org/bugs/?12411 bug #12411]).
+
*  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 ([https://gna.org/bugs/?12412 bug #12412]).
+
*  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 ([https://gna.org/bugs/?12416 bug #12416]).
+
*  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 ([https://gna.org/bugs/?12418 bug #12418]).
+
*  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}}).
 
<section end=bugfixes/>
 
<section end=bugfixes/>
  
= Links =
+
== Links ==
  
 
<section begin=links/>
 
<section begin=links/>
 
For reference, the following links are also part of the announcement for this release:
 
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]
 
* [http://wiki.nmr-relax.com/Relax_1.3.2 Official release notes]
* [https://gna.org/forum/forum.php?forum_id=1973 Gna! news item]
+
* {{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://article.gmane.org/gmane.science.nmr.relax.announce/22 Gmane]
 
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00014.html Mail archive]
 
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00014.html Mail archive]
Line 68: Line 78:
 
<section end=links/>
 
<section end=links/>
  
= Announcements =
+
== Announcements ==
 
{{:relax release announcements}}
 
{{:relax release announcements}}
  
  
= References =
+
== References ==
  
<section start=references/>
+
* [*d'Auvergne and Gooley, 2007] {{#lst:Citations|dAuvergneGooley07}}
* [*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] {{#lst:Citations|dAuvergneGooley08b}}
* [*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]).
 
<section end=references/>
 
 
<HarvardReferences />
 
<HarvardReferences />
  
= See also =
+
== See also ==
  
 
* [http://www.nmr-relax.com/api/1.3/ The relax 1.3 API documentation]
 
* [http://www.nmr-relax.com/api/1.3/ The relax 1.3 API documentation]
 
{{:relax release see also}}
 
{{:relax release see also}}
 
[[Category:Model-free analysis]]
 
[[Category:Model-free analysis]]

Latest revision as of 12:49, 14 October 2020


Official relax releases
relax logo
relax version 1.3.2
Previous version Next version
← relax 1.3.1 relax 1.3.3 →

Keywords Model-free analysis, NOE analysis
Release type Major bugfix
Release date 8 October 2008

The PDF version of the relax 1.3.2 user manual The relax 1.3.2 user manual

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, 2008b]. This version also marks the return of the NOE analysis. If you are using relax version 1.3.1, it is recommended that you upgrade to 1.3.2. Bugs which have been resolved include: problems reading PDB files; failure of the value.set, fix and value.write user functions; non-functional model elimination; model selection issues in certain situations; and various Monte Carlo simulation issues.


Download

The new relax versions can be downloaded from http://www.nmr-relax.com/download.html. If binary distributions are not yet available for your platform and you manage to compile the binary modules, please consider contributing these to the relax project (described in section 3.6 of the relax manual, http://www.nmr-relax.com/manual/relax_distribution_archives.html).


CHANGES file

Version 1.3.2
(8 October 2008, from /1.3)
http://svn.gna.org/svn/relax/tags/1.3.2


Features

  • The NOE analysis has been converted to the new design and is fully functional again.


Changes

  • Internal abstractions to the relax data store by using the generic_fns.pipes API.
  • Added more literature references to the 'full_analysis.py' script.
  • Eliminated Monte Carlo simulations are better identified during user function execution.


Bugfixes

  • The generation of the cone geometric object for the N-state model is fixed.
  • Fixes for the relax_curve_diff.py and latex_mf_table.py sample scripts (identified by the relax data store abstraction).
  • Fixed the reading of relax 1.2 model-free results files (identified by the relax data store abstraction).
  • Various PDB file loading issues fixed.
  • value.set no longer fails when the parameter being set already exists (Bug #12406).
  • Fix for the bug whereby model elimination does nothing for model-free models. This fix may solve other model-free related issues (Bug #12407).
  • Model elimination no longer fails when no diffusion tensor is loaded (Bug #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 (Bug #12409).
  • Model elimination is fixed in the 'full_analysis.py' script.
  • The 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 (Bug #12410).
  • The model elimination error "AttributeError: 'SpinContainer' object has no attribute 'params'." has been fixed (Bug #12411).
  • A missing global chi-squared value was causing failure of global model selection (Bug #12412).
  • Monte Carlo simulation elimination was removing the simulation not from the affected spin but from all spins (Bug #12416).
  • Fix for the failure of the value.write user function in all analysis types (Bug #12418).


Links

For reference, the following links are also part of the announcement for this release:


Announcements

If you would like to receive announcements about new relax versions, please subscribe to the relax announcement mailing list. This list only receives ~10 emails per year. It is archived at the SourceForge archives and in The Mail Archive.


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: 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: 10.1007/s10858-007-9213-3)

<HarvardReferences />

See also