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<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}}
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{{infobox relax release| version = 2.0.0| prev = 1.3.16| next = 2.1.0| keywords = Analyses, BMRB, Bruker Dynamics Centre, GUI, help system, UI, user functions| type = Major feature| date = 12 June 2012| manual = yes}} == Description ==
<section begin=description/>
This is the first relax version of the new 2.0 line. Due to incredible number of changes to the core and large improvements visible throughout prompt and graphical user interfaces (UIs), it was decided that a brand new development line would be created. The 1.3 line will now be discontinued as it quite old - it came into existence 6 years ago (see https://mail.{{gna.org/public/mailing list url|relax-devel/2006-10/msg00053.html)}}.
The features of these release include a complete restructuring of the user functions so that special 'definitions' are used to automatically create the user function front ends in all UIs. This now means that all user functions are now accessible from the GUI. The help system in the prompt UI mode has been revamped and is now better formatted (with better line wrapping for MS Windows). The core of the specific analysis API has been redesigned to make it much easier for NMR spectroscopists to add their own analysis types to relax. The GUI test suite has been significantly expanded so that the GUI should now be, and remain, robust. The XML formatted relax results and save files have been redesigned and improved for both numerical accuracy and readability. Data pipes can now be grouped together in special data bundles, and analysis tabs in the GUI are now associated with a specific bundle. BMRB export (as well as import) and support for Bruker Dynamics Centre relaxation data files are now tightly integrated into the GUI. Many other improvements can be found throughout the GUI. The incredible number of changes that have gone into this release can be seen below!
As this is the first release of a new line, a few minor bugs should be expected. All feedback is appreciated. Bugs can be reported at the official relax bug tracker through the link https://{{gna url|1=gna.org/bugs/?func=additem&group=relax}}. Any error messages that are not 'RelaxErrors', any strange behaviour in the GUI such as windows disappearing out the back, elements not updating, etc., or anything that does not behave exactly as you would expect should be treated as a bug!
<section end=description/>
== Download ==
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== CHANGES file ==
<section begin=metadata/>
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=== Features ===
<section begin=features/>
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=== Changes ===
<section begin=changes/>
* GUI test scripts are now executed via prompt.interpreter.exec_script(). This allows the preservation of imports within the scripts. The old execfile() method was causing the 'globals' to be overwritten, hence imports in the scripts are not visible inside methods or classes.
* The GUI auto-generated user function SetValue() method now skips function and function arg arguments. These are not supported in the GUI.
* Loosened the checking conditions for the test_set_value() J(wω) mapping system (and GUI) test. Just like the consistency testing, the GUI string conversions to and from floats introduces a slight truncation.
* The consistency testing test_set_value() system (and GUI) test has been made less strict. The conversion of the bond length and CSA values to GUI strings and back to floats causes a slight numerical truncation.
* The specific analysis API base return_data_desc() now has a basic implementation. This will search through the global and then spin parameters objects, returning whatever is found.
* The specific analysis API base method calls to RelaxImplementError now send in the function name. This allows for better identification of what needs to be implemented.
* The specific analysis base API default_value() method is now functional. Rather than raising a RelaxImplementError, this method now searches in the global parameters then the spin parameters for a default value.
* Shifted out the interpreter components of the J(wω) mapping tests into scripts. This allows the tests to work in the GUI test framework.
* Converted the consistency tests script to the new _execute_uf() design. This allows it to work with the GUI for the GUI tests.
* The jw_mapping system tests are now run as GUI tests.
* The list_titles argument is now accepted for the auto-generated user functions. This is for a list of lists, and are the titles for the lists.
* The auto-generated Uf_page.add_contents() method now raises a RelaxError if the Python type is unknown.
* The menu_text variable now defaults to <nowiki>'' </nowiki> so that the GUI does not die if this is not set.
* Removed the wiz_desc arguments from the pipe user functions.
* Eliminated the wiz_desc argument in the auto-generated user functions. Now the desc_short argument will be used instead for the GUI user function elements.
* Created a sample script for BMRB data deposition.
* The relax data store is_empty() method now only prints to STDERR if the verbosity flag is set.
* Changed the behaviour of the generate_spin_id() and generate_spin_id_data_array() functions. This is a large change affecting many parts of the code base. The problem that this solves is the incorrect usage of the '&' character in spin IDs, tripping up on the powerful Selection object of [http://{{gna link|url=gna.org/users/macraild |text=Chris MacRaild]}}. For example, the spin ID ':2&:Glu' cannot be correctly handled. This actually matches all residues with the number 2, and all residues with the name 'Glu'.
* The scons 'clean' target now removes *.pyo files as well.
<section end=changes/>
=== Bugfixes ===
<section begin=bugfixes/>
<section end=bugfixes/>
== Links == <section begin=links/>For reference, the following links are also part of the announcement for this release:* [http://wiki.nmr-relax.com/Relax_2.0.0 Official release notes]* {{gna link|url=gna.org/forum/forum.php?forum_id=2354|text=Gna! news item}}* [http://article.gmane.org/gmane.science.nmr.relax.announce/5 Gmane]* [https://mail.gna.org/public/relax-announce/2012-06/msg00000.html Local archives]* [http://marc.info/?l=relax-announce&m=135070664825021&w=2 MARC]<section end=links/> == Announcements ==
{{:relax release announcements}}
== References ==
<HarvardReferences />
== See also ==
* [http://www.nmr-relax.com/api/2.0/ The relax 2.0 API documentation]
{{:relax release see also}}
[[Category:GUI]]
[[Category:prompt UI]]
[[Category:User functions]]