Difference between revisions of "Relax 3.1.5"

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{{lowercase title}}
 
{{lowercase title}}
  
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= Description =
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{{infobox relax release
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| version  = 3.1.5
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| prev    = 3.1.4
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| next    = 3.1.6
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| keywords = NOE analysis
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| type    = Major bugfix
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| date    = 4 February 2014
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| manual  = yes
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}}
  
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<onlyinclude>
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== Description ==
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This is a major bugfix release which fixes the complete failure of the NOE analysis for most users, a bug introduced in the [[relax 3.1.4|last relax release]] (https://gna.org/forum/forum.php?forum_id=2433).  All users of [[relax 3.1.4]] should upgrade to this version.
 
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</onlyinclude>
 
  
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<section begin=description/>
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This is a major bugfix release which fixes the complete failure of the NOE analysis for most users, a bug introduced in the [[relax 3.1.4|last relax release]].  All users of [[relax 3.1.4]] should upgrade to this version.
 +
<section end=description/>
  
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= Download =
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== Download ==
  
 +
<section begin=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).  
 
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).  
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<section end=download/>
  
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== CHANGES file ==
  
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= CHANGES file =
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<section begin=metadata/>
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Version 3.1.5 <br/>
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Version 3.1.5
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(4 February 2014, from /trunk) <br/>
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(4 February 2014, from /trunk)
 
 
http://svn.gna.org/svn/relax/tags/3.1.5
 
http://svn.gna.org/svn/relax/tags/3.1.5
 +
<section end=metadata/>
  
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=== Features ===
  
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== Features ==
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<section begin=features/>
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N/A
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<section end=features/>
  
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N/A
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=== Changes ===
  
 +
<section begin=changes/>
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*  Updated the [http://www.nmr-relax.com/manual/interatom_unit_vectors.html interatom.unit_vectors user function description] to add the text '3D structure'.  This is in response to the http://thread.gmane.org/gmane.science.nmr.relax.user/1547 relax-users mailing list message and the change is to clarify the usage of the user function.
 +
*  Created the Noe.test_bug_21591_noe_calculation_fail system test.  This is to catch [https://gna.org/bugs/?21591 bug #21591] submitted by {{gna link|url=gna.org/users/mab|text=Martin Ballaschk}}.  This is the complete failure of the NOE analysis.  The peak lists attached to the bug report have been included in the test suite to create the system test.
 +
*  Improvements for the steady-state NOE analysis overfit_deselect() method.  The spin deselection which occurs at the start of the [http://www.nmr-relax.com/manual/calc.html calc user function] call, used to calculate the NOE, is now clearer.  Each deselection condition is now explained in detail and the text is now far more informative.  In addition, the special condition of all spins being deselected is now caught.  If this happens, a RelaxError is raised to prevent the user from going forwards.  This should remove confusion as to why the output file is empty.
 +
<section end=changes/>
  
−
== Changes ==
+
=== Bugfixes ===
  
−
*  Updated the interatom.unit_vectors user function description to add the text '3D structure'.  This is in response to the http://thread.gmane.org/gmane.science.nmr.relax.user/1547 relax-users mailing list message and the change is to clarify the usage of the user function.
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<section begin=bugfixes/>
−
*  Created the Noe.test_bug_21591_noe_calculation_fail system test.  This is to catch [https://gna.org/bugs/?21591 bug #21591] submitted by [https://gna.org/users/mab Martin Ballaschk].  This is the complete failure of the NOE analysis. The peak lists attached to the bug report have been included in the test suite to create the system test.
+
*  Fix for [https://gna.org/bugs/?21591 bug #21591, the complete failure of the NOE analysis].  This bug was reported by {{gna link|url=gna.org/users/mab|text=Martin Ballaschk}}.  The issue was introduced in the fix for [https://gna.org/bugs/?21562 bug #21562].  The problem is that the overfit_deselect() method was deselecting all spins with two data points or less rather than one or less.
−
* Improvements for the steady-state NOE analysis overfit_deselect() method.  The spin deselection which occurs at the start of the calc user function call, used to calculate the NOE, is now clearer.  Each deselection condition is now explained in detail and the text is now far more informative.  In addition, the special condition of all spins being deselected is now caught.  If this happens, a RelaxError is raised to prevent the user from going forwards.  This should remove confusion as to why the output file is empty.
+
<section end=bugfixes/>
  
 +
== Links ==
  
−
== Bugfixes ==
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<section begin=links/>
 +
For reference, the announcement for this release can also be found at following links:
  
−
* Fix for [https://gna.org/bugs/?21591 bug #21591, the complete failure of the NOE analysis]. This bug was reported by [https://gna.org/users/mab Martin Ballaschk]. The issue was introduced in the fix for [https://gna.org/bugs/?21562 bug #21562]. The problem is that the overfit_deselect() method was deselecting all spins with two data points or less rather than one or less.
+
* [http://wiki.nmr-relax.com/Relax_3.1.5 Official release notes on the relax wiki].
 +
* {{gna link|url=gna.org/forum/forum.php?forum_id=2434|text=Gna! news item}}.
 +
* [http://article.gmane.org/gmane.science.nmr.relax.announce/51 Gmane mailing list archive].
 +
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00045.html The Mail Archive].
 +
* [https://mail.gna.org/public/relax-announce/2014-02/msg00001.html Local archives].
 +
* [http://marc.info/?l=relax-announce&m=139155160119871&w=2 Mailing list ARChives (MARC)].
  
 +
{{:Softpedia}}
 +
<section end=links/>
  
−
= Announcements =
+
== Announcements ==
  
 
{{:relax release announcements}}
 
{{:relax release announcements}}
  
  
−
= Links =
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== See also ==
−
 
 
−
For reference, the following links are also part of the announcement for this release:
 
−
* [http://wiki.nmr-relax.com/Relax_3.1.5 Official release notes]
 
−
* [https://gna.org/forum/forum.php?forum_id=2434 Gna! news item]
 
−
* [http://article.gmane.org/gmane.science.nmr.relax.announce/51 Gmane]
 
−
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00045.html Mail Archive]
 
−
* [https://mail.gna.org/public/relax-announce/2014-02/msg00001.html Local archives]
 
−
* [http://marc.info/?l=relax-announce&m=139155160119871&w=2 MARC]
 
−
 
 
−
 
 
−
= See also =
 
  
−
[[Category:Release_Notes]]
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* [http://www.nmr-relax.com/api/3.1/ The relax 3.1 API documentation]
 +
{{:relax release see also}}
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[[Category:Steady-state NOE analysis]]

Latest revision as of 08:49, 16 October 2020


Official relax releases
relax logo
relax version 3.1.5
Previous version Next version
← relax 3.1.4 relax 3.1.6 →
Keywords NOE analysis
Release type Major bugfix
Release date 4 February 2014
The PDF version of the relax 3.1.5 user manual The relax 3.1.5 user manual

Description

This is a major bugfix release which fixes the complete failure of the NOE analysis for most users, a bug introduced in the last relax release. All users of relax 3.1.4 should upgrade to this version.


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 3.1.5
(4 February 2014, from /trunk)
http://svn.gna.org/svn/relax/tags/3.1.5


Features

N/A


Changes

  • Updated the interatom.unit_vectors user function description to add the text '3D structure'. This is in response to the http://thread.gmane.org/gmane.science.nmr.relax.user/1547 relax-users mailing list message and the change is to clarify the usage of the user function.
  • Created the Noe.test_bug_21591_noe_calculation_fail system test. This is to catch bug #21591 submitted by Martin Ballaschk. This is the complete failure of the NOE analysis. The peak lists attached to the bug report have been included in the test suite to create the system test.
  • Improvements for the steady-state NOE analysis overfit_deselect() method. The spin deselection which occurs at the start of the calc user function call, used to calculate the NOE, is now clearer. Each deselection condition is now explained in detail and the text is now far more informative. In addition, the special condition of all spins being deselected is now caught. If this happens, a RelaxError is raised to prevent the user from going forwards. This should remove confusion as to why the output file is empty.


Bugfixes


Links

For reference, the announcement for this release can also be found at following links:

Softpedia also has information about the newest relax releases:


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.


See also


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