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Relax 3.2.1

284 bytes added, 15:42, 5 September 2014
Used HarvardReferences to add a reference for Baldwin 2014.
= Description =
This is a major bugfix release which includes the equations for the [[B14]] and [[B14 full]] [[:Category:relaxation dispersion|relaxation dispersion]] models, from [Baldwin 2014 and ] introduced with [[relax 2.2.0|relax version 3.2.0]], now being calculated correctly, the [[NS CPMG 2-site expanded]] model correctly handling edge cases where no exchange is expected, and the [http://www.nmr-relax.com/manual/structure_delete.html|structure.delete user function] correctly operating when multiple models are loaded into the data store.
* Fix for all edge case [[No Rex]] failures of the [[NS CPMG 2-site expanded]] model. This uses the no exchange checking idea, modified to function in the relax trunk, from http://article.gmane.org/gmane.science.nmr.relax.devel/5847. This is importantly on line 1 of the function. The recently introduced set of 7 unit tests comprehensively showing these failures now all pass.
* Important bug fix for the structure.delete user function when multiple models are present. This is to fix bug #22070 (https://gna.org/bugs/?22070), the failure of the structure.superimpose user function after deleting atoms with structure.delete. The problem is that structure.delete was removing the atoms from the first model but none of the others. This is because it was using the structural object atom_loop() method to find the atoms to be deleted, but this method operates on the first model. So when the second model is reached, the atoms are already gone.
 
 
= References =
 
* [*Baldwin 2014] A. Baldwin (2014). An exact solution for R2,eff in CPMG experiments in the case of two site chemical exchange. ''J. Magn. Reson.'', '''244''', 114-124. DOI: [http://dx.doi.org/10.1016/j.jmr.2014.02.023 10.1016/j.jmr.2014.02.023].
<HarvardReferences />
 
= See also =
[[Category:Release_Notes]]
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