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Relax 1.2.13

4 bytes added, 15:06, 21 September 2014
Internal model-free model links.
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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 Modelfree 4 'mfout' file, and the handling of missing structural data. For a full description of the additions and fixes, please see below.
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* 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 Modelfree 4'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.
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