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{{infobox relax release| version = 1.2.4| prev = 1.2.3| next = 1.2.5| keywords = Manual, model-free analysis, MOLMOL, test suite| type = Major feature and bugfix| date = 2 May 2006| manual = yes}} == Description ==
<section begin=description/>
This is a long overdue release which includes many new features, changes, and bugfixes. [http://www.nmr-relax.com/manual/molmol_macro_write.html Molmol macros which plot parameter values onto the structure using arbitrary colour gradients through the X11 colours, Molmol colours, or RGB vectors can now be created by the program]. A test suite has been added to aid in debugging and checking that new code does not break the functionality of the program. The [http://www.nmr-relax.com/manual/index.html relax manual] has been significantly updated. Hyperlinks are now present. The chapter [http://www.nmr-relax.com/manual/Open_source_infrastructure.html Open source infrastructure] has been added and the [http://www.nmr-relax.com/manual/relax_development.html development chapter] has been rewritten. Hybrid runs are now supported. Half the protein can be analysed in one run, the other half in another, and then the two combined into one hybrid run.
<section end=description/>
== Download ==
<section begin=download/>
<section end=download/>
== CHANGES file ==
<section begin=metadata/>
<section end=metadata/>
=== Features ===
<section begin=features/>
* Added elimination of Monte Carlo simulations to the sample scripts.
* Creation of the [http://www.nmr-relax.com/api/1.2/test_suite-module.html relax test suite ] 'relax --test-suite'.
* Creation of the committers file.
* The hyperref LaTeX package is now used in the relax manual.
* Addition of a chapter called [http://www.nmr-relax.com/manual/Open_source_infrastructure.html Open source infrastructure].
* Rewrite of the [http://www.nmr-relax.com/manual/relax_development.html Development of relax] chapter.
* Addition of the user function [http://www.nmr-relax.com/manual/pipe_hybridise.html run.hybridise]. ([https://{{gna.org/task/?link|3122 task #3122]}})* The [http://www.nmr-relax.com/manual/relax_data_read.html user function 'relax_data.read()' ] no longer deselects residues when no data is encountered. ([https://gna.org/bugs/?5501 bug #5501])* Residues are deselected by the user functions '[http://www.nmr-relax.com/manual/grid_search.html grid_search()'], '[http://www.nmr-relax.com/manual/calc.html calc()'], and '[http://www.nmr-relax.com/manual/minimise.html minimise()' ] if k > n or if there is less than 3 data sets. ([https://gna.org/bugs/?5501 bug #5501])* Mapping parameter values onto the structure through Molmol macros. ([https://{{gna.org/task/?3146 task #link|3146]}})* Added support for arbitrary colour gradients in the Molmol macros. ([https://{{gna.org/task/?3146 task #link|3146]}})* Addition of a [http://www.nmr-relax.com/api/1.2/colour-module.html file for colour operations]. All X11 colours and all Molmol colours can be selected by name. ([https://{{gna.org/task/?link|3146 task #3146]}})
<section end=features/>
=== Changes ===
<section begin=changes/>
* The 'full_analysis.py' sample script now only searches over 6^<sup>6 </sup> rather than 11^<sup>6 </sup> grid points for the ellipsoid diffusion tensor to speed up the analysis.
* Updated the manual to replace the references to 'make' with 'sconstruct'.
* Extension of the [http://www.nmr-relax.com/manual/Installation_instructions.html installation chapter].
* Changed the square and round brackets to curly brackets and replaced ':' with '=' in the user function docstrings.
* All the model-free Molmol functions have been moved into their own class [http://www.nmr-relax.com/api/1.2/specific_fns.model_free.Molmol-class.html Molmol].
* The null device can now be opened instead of a file for writing by passing 'devnull' as the name.
* Updated the release checklist so that the directory 'relax-x.x.x' is included in the distributions rather than just 'relax'.
<section end=changes/>
=== Bugfixes ===
<section begin=bugfixes/>
* Small bugs in the [http://www.nmr-relax.com/api/1.2/script-sconstruct-module.html sconstruct script ] have been removed.
* The value reading function can now handle rows which contain no data.
* The ellipsoid diffusion tensor was being incorrectly initialised in the 'full_analysis.py' script.
* In certain situations, the angle folding function which is called after model-free minimisation used the wrong run name.
* Fixed the -fPIC option segfault problem on some Linux systems. ([https://gna.org/bugs/?5473 bug #5473])
* Changed the tm τ<sub>m</sub> grid search which was between 6-12 ns to be between 1-12ns12 ns.* Fixed some grammar in the [http://www.nmr-relax.com/manual/Introduction.html intro chapter of the manual].
* Fixed a bug in the model-free sample script in the spheroid diffusion tensor function.
* Removed the spaces in front of the \index{} commands from the manual LaTeX source files.
* The diffusion parameters 'Diso'D<sub>iso</sub>, 'Dper'D<sub>⊥</sub>, 'Dpar'D<sub>∥</sub>, 'Dratio'D<sub>ratio</sub>, 'Dx'D<sub>x</sub>, 'Dy'D<sub>y</sub>, and 'Dz' D<sub>z</sub> are generated on the fly. ([https://gna.org/bugs/?5559 bug #5559])
* Fixed the spacing after 'Gna!' in the manual.
* The '[http://www.nmr-relax.com/manual/grace_write.html grace.write()' user function ] now plots the associated errors. ([https://gna.org/bugs/?5659 bug #5659])* Fix to the parameter errors not being scaled in the [http://www.nmr-relax.com/manual/value_read.html value.read() user function]. ([https://gna.org/bugs/?5670 bug #5670])
* Parameter errors were not always included in the results file. ([https://gna.org/bugs/?5660 bug #5660])
* Removed the memory leak in the relaxation curve-fitting [[C|C modules]]. ([https://gna.org/bugs/?5602 bug #5602])
<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_1.2.4 Official release notes]* {{gna link|url=gna.org/forum/forum.php?forum_id=1163|text=Gna! news item}}* [http://article.gmane.org/gmane.science.nmr.relax.announce/8 Gmane]* [http://www.mail-archive.com/relax-announce%40gna.org/msg00000.html Mail archive]* [https://mail.gna.org/public/relax-announce/2006-05/msg00000.html Local archives]* [http://marc.info/?l=relax-announce&m=135070664424991&w=2 MARC]<section end=links/> == Announcements ==
{{:relax release announcements}}
== See also ==
* [http://www.nmr-relax.com/api/1.2/ The relax 1.2 API documentation]
{{:relax release see also}}