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  • ...ated the journal reference for the published lactose conformational search scripts. * Shifted some of the sample scripts into the analysis specific sub-directories.
    32 KB (5,221 words) - 11:41, 14 October 2020
  • * Syntax error fix for one of the unused scripts in the relax test suite shared data directories. This problem was encounte * Updates to the sample scripts for the [http://www.nmr-relax.com/manual/spectrum_read_intensities.html spe
    23 KB (3,744 words) - 09:06, 16 October 2020
  • ....write user function not being able to write ref/sat plots as described in sample script noe.py]. Instead of trying to produce the 'ref.agr' and 'sat.agr' f ....write user function not being able to write ref/sat plots as described in sample script noe.py]. Instead of trying to produce the 'ref.agr' and 'sat.agr' f
    162 KB (26,041 words) - 13:58, 16 October 2020
  • * Updated the diffusion tensor minimisation sample script as the code is very old and useless. ...nts as well. This new flag is for backwards compatibility - it allows old scripts to operate as before while enabling the new functionality.
    32 KB (5,334 words) - 11:37, 14 October 2020
  • * Renamed test scripts and files for producing surface &chi;<sup>2</sup> plots. * Renamed sample scripts making surface maps.
    57 KB (9,377 words) - 10:35, 16 October 2020
  • ...and uncommented a few lines of code. Of course, this won't work until the sample data has been introduced and the right names for the different files be inp * Added details to the readme file and changed the directory name where the sample data is located. The directory is now named 'dataset_1-a'. This contains
    319 KB (52,401 words) - 13:30, 16 October 2020
  • * The GUI test suite has been significantly expanded. The system test relax scripts can now be used as GUI tests - the user functions are executed through the * The dauvergne_protocol sample script[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b] initial p
    111 KB (18,476 words) - 11:45, 14 October 2020
  • ...atest speed ups. There are also improvements for helping to upgrade relax scripts to newer relax versions. The numdifftools package is now bundled with rela ...anges from [[relax 1.0.1]] to [[relax 3.3.1|3.3.1]] to help with upgrading scripts to newer relax versions.
    79 KB (12,277 words) - 15:04, 16 October 2020
  • ...This is in the base script used by all scripts in test_suite/system_tests/scripts/frame_order/cam/. ...This is in the base script used by all scripts in test_suite/system_tests/scripts/frame_order/cam/. The translation vector coordinates are now set, as well
    270 KB (43,886 words) - 20:40, 8 October 2020
  • ...of interatomic distance, angle or parallax shift fluctuations, measured as sample standard deviations, between different molecules. * Updated the gnuplot scripts to be executable. These are the scripts created by the [http://www.nmr-relax.com/api/3.3/lib.plotting.gnuplot-modul
    101 KB (15,433 words) - 13:37, 16 October 2020
  • .../minimise_execute.html minimise.execute] respectively. Please update your scripts appropriately. A new relax feature is that old user function calls are det ...ames of the old and new user functions. This is for help in upgrading old scripts and is currently for the calc(), grid_search(), and minimise() user functio
    362 KB (56,434 words) - 20:34, 16 October 2020

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