Changes

= Description =

This is a major bug fix release which includes a number of feature enhancements. Significant changes include the addition of convergence tests to the 'full_analysis.py' script [d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008], the ability to compile the [[C|C modules]] on Mac OS X, more advanced spin system selection, the model-free and reduced spectral density mapping results files no longer being truncated, and improvements to the [http://www.nmr-relax.com/manual/Model_free_analysis.html model-free section of the user manual] by the addition of flow diagrams detailing the steps of different model-free analysis protocols. Significant bugfixes include more flexibility in the reading of XEasy text files, a number of fixes in the 'full_analysis.py' sample script, the proper setup of Monte Carlo simulation when reading results files, and a couple of MS Windows fixes. More details and additional features, changes, and bugfixes are detailed below.

= 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 1.2.10

(12 January 2007, from /1.2)

http://svn.gna.org/svn/relax/tags/1.2.10

== Features ==

* Addition of tests to the 'full_analysis.py' script for the identification of convergence [d'Auvergne and Gooley, 2008].

* Different columns can be specified for the residue number in the [http://www.nmr-relax.com/manual/select_read.html select.read] and [http://www.nmr-relax.com/manual/deselect_read.html unselect.read] user functions.

* Addition of a sample script for the creation a LaTeX longtable of the model-free results.

* The rows of the model-free and reduced spectral density results files are no longer truncated for deselected spin systems, hence all data is now stored in the results file. (see bug #8059)

== Changes ==

* The relax core design diagram in the development chapter of the manual has been updated.

* Three flow diagrams have been added to the relax manual detailing the steps of different model-free analysis protocols.

* For the clarification of bug #8059 a RelaxNoTensorError is raised instead of returning None when no diffusion tensor data is present.

* The Scons target 'source_dist' now creates and GPG signs both the 'tar.bz2' and 'zip' source distribution packages. (see task #4087)

== Bugfixes ==

* The C modules can now be compiled on Mac OS X. (see bug #7670)

* The order of the proton and heteronucleus dimensions and number of header lines in the XEasy text file is now automatically detected. (see bug #7676)

* The MS Windows BAT file execution failure "python: can't open file 'C:\Program': [Errno 2] No such file or directory" has been fixed. (see bug #8201)

* The reading in of the results files from relax versions 1.2.0 to 1.2.9 in which deselected spin system lines are truncated now works. (see bug #8248)

= 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://dx.doi.org/10.1039/b702202f 10.1039/b702202f).

* [*d'Auvergne and Gooley, 2008] 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://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).

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= See also =

[[Category:Release_Notes]]