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<onlyinclude>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.</onlyinclude>= Description ==
Increased the sectioning depth.
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{{infobox relax release| version = Description 3.1.5| prev =3.1.4| next = 3.1.6| keywords = NOE analysis| type = Major bugfix| date = 4 February 2014| manual = yes}}
<section begin= Download description/>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.<section end=description/>
== 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).
<section end=download/>
== CHANGES file ==
<section begin= CHANGES file =metadata/>Version 3.1.5<br/>(4 February 2014, from /trunk)<br/>
http://svn.gna.org/svn/relax/tags/3.1.5
<section end=metadata/>
=== Features ===
<section begin=features/>
N/A
<section end=features/>
=== Changes ===
<section begin=changes/>
* 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 [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.
* 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 ===
<section begin=bugfixes/>* Updated the interatom.unit_vectors user function description to add the text '3D structure'. This is in response to the httpFix for [https://thread.gmanegna.org/gmane.science.nmr.relax.userbugs/1547 relax-users mailing list message and ?21591 bug #21591, the change is to clarify the usage complete failure of the user function.* Created the Noe.test_bug_21591_noe_calculation_fail system testNOE analysis]. This is to catch bug #21591 (was reported by [https://gna.org/bugsusers/?21591) submitted by mab Martin Ballaschk (]. The issue was introduced in the fix for [https://gna.org/usersbugs/mab)?21562 bug #21562]. This The problem is that 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 was deselecting 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 emptywith two data points or less rather than one or less.<section end=bugfixes/>
== Links ==
<section begin== Bugfixes ==links/>For reference, the announcement for this release can also be found at following links:
* Fix for bug #21591 ([http://wiki.nmr-relax.com/Relax_3.1.5 Official release notes on the relax wiki].* [https://gna.org/bugsforum/forum.php?21591), the complete failure of the NOE analysisforum_id=2434 Gna! news item]. This bug was reported by Martin Ballaschk (https* [http://gnaarticle.gmane.org/usersgmane.science.nmr.relax.announce/mab)51 Gmane mailing list archive].* [http://www.mail-archive.com/relax-announce%40gna.org/msg00045. html The issue was introduced in the fix for bug #21562 (Mail Archive].* [https://mail.gna.org/bugspublic/relax-announce/2014-02/msg00001.html Local archives].* [http://marc.info/?21562). The problem is that the overfit_deselectl=relax-announce&m=139155160119871&w=2 Mailing list ARChives (MARC) method was deselecting all spins with two data points or less rather than one or less].
{{:Softpedia}}
<section end=links/>
== Announcements ==
{{:relax release announcements}}
== See also ==
* [http://www.nmr-relax.com/api/3.1/ The relax 3.1 API documentation]{{:relax release see also}}[[Category:Release_NotesSteady-state NOE analysis]]
