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Relax 1.2.10

32 bytes added, 19:00, 13 September 2014
Changed the dauvergne_protocol LST tags.
<section begin=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, 20082008b], 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.
<section end=description/>
<section begin=features/>
* Addition of tests to the 'full_analysis.py' script for the identification of convergence [d'Auvergne and Gooley, 20082007][d'Auvergne and Gooley, 2008b].
* 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.
* More advanced selection of spin systems or residues is possible through the use of the Boolean operators 'OR', 'NOR', 'AND', 'NAND', 'XOR', or 'XNOR'.
<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://dx.doi.org/10.1039/b702202f 10.1039/b702202f).
* [*d'Auvergne and Gooley, 20082008b] 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]).
<section end=references/>
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