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Relax 3.3.2

77 bytes added, 10:35, 16 October 2020
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{{infobox relax release| version = 3.3.2| prev = 3.3.1| next = 3.3.3| type = Minor feature and bugfix| date = 13 November 2014| manual = yes}} == Description ==
<section begin=description/>
This is a minor feature and bugfix release. It includes improvements to the readability of the [http://www.nmr-relax.com/manual/index.html HTML version of the manual], improved printouts throughout the program, numerous GUI enhancements, and far greater Python 3 support. Please see below for a full listing of all the new features and bugfixes.
 
For the fully formatted release announcement with links, please see the [[relax 3.3.2|official release notes]] on the relax wiki.
<section end=description/>
== Download ==
<section begin=download/>
<section end=download/>
== CHANGES file ==
<section begin=metadata/>
<section end=metadata/>
=== Features ===
<section begin=features/>
<section end=features/>
=== Changes ===
<section begin=changes/>
* Updated the [https://gna.org/projects/{{minfx/ homepage}} minfx] version in the release checklist document to version 1.0.11.
* Updated the relax version in the release checklist document to be more modern.
* Spelling fixes for the CHANGES file.
* Added instructions and a build script for creating a useful version of latex2html. This version is essential for building the [http://www.nmr-relax.com/manual/index.html HTML version of the manual]. The build script downloads the Debian latex2html-2008 sources as well as all Debian patches for latex2html. It then applies a number of patches for fixing and improving the relax documentation. The program is then compiled and can be installed as the root user into /usr/local/.
* Extended the number of words used in the HTML webpage file names. This is to hopefully prevent files from being overwritten by multiple files having the same name.
* Added the write out of parameters and &chi;<sup>2</sup> values, when creating a dx_map. [https://{{gna.org/task/index.php?link|7860 |text=Task #7860: When dx_map is issued, create a parameter file which maps parameters to &chi;<sup>2</sup> value]}}.* Created [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.relax_disp.Relax_disp-class.html#test_dx_map_clustered_create_par_file system test Relax_disp.test_dx_map_clustered_create_par_file], which must show that relax is not able to find the local minimum under clustered conditions. When creating the map, the map contain &chi;<sup>2</sup> values, which are lower than the clustered fitted values. This should not be the case. Running a larger map with larger bounds and more increments, which should show that there exist a minimum in the minimisation space with a lower &chi;<sup>2</sup> value. [https://gna.org/bugs/index.php?22754 Bug #22754: The minimise.calculate() does not calculate &chi;<sup>2</sup> value for clustered residues]. [https://{{gna.org/task/index.php?link|7860 |text=Task #7860: When dx_map is issued, create a parameter file which maps parameters to &chi;<sup>2</sup> value]}}.
* Renamed test scripts and files for producing surface &chi;<sup>2</sup> plots.
* Renamed sample scripts making surface maps.
* Added scripts to make surface plots of spin independents parameters &delta;&omega; and R<sub>a</sub><sup>2</sup>.
* Added example surface &chi;<sup>2</sup> values for plots. [https://{{gna.org/task/index.php?link|7826 |text=Task #7826: Write an python class for the repeated analysis of dispersion data]}}.
* Added example save state for more surface plotting.
* Added boolean argument to [http://www.nmr-relax.com/manual/dx.map.html dx.map user function], to specify the creation of a parameter and associated &chi;<sup>2</sup> values file. For very very special situations, the creation of this file is not desired.
* Added printouts to the [http://www.nmr-relax.com/api/3.3/auto_analyses.dauvergne_protocol.dAuvergne_protocol-class.html#determine_rnd determine_rnd() function of the dauvergne_protocol model-free auto-analysis]. This is for better user feedback in the log files as to what is happening. It may help in debugging [https://gna.org/bugs/?22730 bug #22730: Model-free auto-analysis - relax stops and quits at the polate step].
* Alphabetical ordering of imports in the [http://www.nmr-relax.com/api/3.3/auto_analyses.dauvergne_protocol-module.html dauvergne_protocol model-free auto-analysis].
* Changed the model-free single spin optimisation title printouts. The [http://www.nmr-relax.com/api/3.2/specific_analyses.model_free.optimisation-module.html#spin_print specific_analyses.model_free.optimisation.spin_print() function] has been deleted. It has instead been replaced by a call to [http://www.nmr-relax.com/api/3.3/lib.text.sectioning-module.html#subtitle lib.text.sectioning.subtitle()]. This is to match the grid search setup title printouts and to differentiate these titles from those printed out by [https://gna.org/projects/{{minfx/ homepage}} minfx] being underlined by '~' characters.
* Added extensive sectioning printouts to the [http://www.nmr-relax.com/api/3.3/auto_analyses.dauvergne_protocol-module.html dauvergne_protocol model-free auto-analysis]. The [http://www.nmr-relax.com/api/3.3/lib.text.sectioning-module.html lib.text.sectioning] functions title() and subtitle() are now used to mark out all parts of the auto-analysis. This will allow for a much better understanding of the log files produced by this auto-analysis.
* Complete redesign of the following of text in the relax controller window in the GUI. The current design for some reason no longer worked very often, and there would be many situations where the scrolling to follow the text output would stop and could never be recovered. Therefore this feature has been redesigned. In the LogCtrl element of the relax controller, which displays the relax output messages, the at_end class boolean variable has been introduced. It defaults to True. The following events will turn it off: Arrow keys, Home key, End key, Ctrl-Home key, Mouse button clicks, Mouse wheel scrolling, Window thumbtrack scrolling (the side scrollbar), finding text, the pop up menu 'Go to start', and Select all (menu or Ctrl-A). It will only be turned on in two cases: The pop up menu 'Go to end', and if the caret is on the final line (caused by Ctrl-End, Mouse wheel scrolling, Page Down, Down arrow, Window thumbtrack scrolling, etc.). Three new methods have been introduced to handle certain events: capture_mouse() for mouse button clicks, capture_mouse_wheel() for mouse wheel scrolling, and capture_scroll for window thumbtrack scrolling.
<section end=changes/>
=== Bugfixes ===
<section begin=bugfixes/>
<section end=bugfixes/>
== Links ==
<section begin=links/>
* [http://wiki.nmr-relax.com/Relax_3.3.2 Official release notes on the relax wiki].
* [https://{{gna link|url=gna.org/forum/forum.php?forum_id=2481 |text=Gna! news item]}}.
* [http://article.gmane.org/gmane.science.nmr.relax.announce/60 Gmane mailing list archive].
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00051.html The Mail Archive].
* [https://mail.gna.org/public/relax-announce/2014-11/msg00000.html Local archives].
* [http://marc.info/?l=relax-announce&m=141289520301921141617497420939&w=2 Mailing list ARChives (MARC)].
{{:Softpedia}}
<section end=links/>
== Announcements ==
{{:relax release announcements}}
== See also ==
* [http://www.nmr-relax.com/api/3.3/ The relax 3.3 API documentation]
{{:relax release see also}}
[[Category:Relaxation dispersion analysis]]
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