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Relax 1.2.13

12 bytes added, 16:15, 15 December 2015
Internal link to Modelfree4.
<section begin=description/>
This release introduces new features and fixes a number of important bugs. The most significant feature is the [http://www.nmr-relax.com/manual/Consistency_testing.html consistency testing of relaxation data from different field strengths] using the J(0), F<sub>&eta;</sub> and F<sub>R<sub>2</sub></sub> values [Morin and Gagné, 2009][Fushman et al., 1998]. Important bugs which have been fixed include the failure of Monte Carlo simulations when model-free model [[m0]] is encountered causing the parameter errors for all subsequent residues to be zero, the failure of reading of Art Palmer's [[Modelfree4 ]] 'mfout' file, and the handling of missing structural data. For a full description of the additions and fixes, please see below.
<section end=description/>
* Initialisation of an empty diffusion tensor to the default values of zero now works.
* The default value of the I<sub>&infin;</sub> relaxation curve fitting parameter can now be set.
* Fix for the complete failure of the reading in of Art Palmer's [[Modelfree4 ]] 'mfout' results file ([https://gna.org/bugs/?8997 see bug #8997]).
* Fix for a rare ZeroDivisionError during Monte Carlo simulations ([https://gna.org/bugs/?11004 see bug #11004]).
* relax no longer fails if XH bond vectors cannot be extracted from a PDB file ([https://gna.org/bugs/?11378 see bug #11378]).
* The [http://www.nmr-relax.com/manual/relax_data_display.html relax_data.display user function] no longer fails ([https://gna.org/bugs/?11383 see bug #11383]).
* The selection of model-free model [[m0]] causes Monte Carlo simulations to fail resulting in zero errors from that residue onwards ([https://gna.org/bugs/?11476 see bug #11476]).
* Another column fusion bug in [[Modelfree4]]'s 'mfout' results file can be handled ([https://gna.org/bugs/?11483 see bug #11483]).
* Optimisation fix - the steady-state NOE value, gradient, and Hessian is now properly calculated when an order parameter of exactly 0.0 is encountered.
<section end=bugfixes/>
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