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NS CPMG 2-site expanded

1,133 bytes added, 12:19, 27 October 2017
→‎Code: Switch to the {{relax url}} template for the library code URL.
= Intro =
The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for [[SQ CPMG-type data]]. This uses the Maple expanded and fast equations from Nikolai Skrynnikov. The model is labelled as '''NS CPMG 2-site expanded''' in [[Relaxation dispersion citation for relax|relax]].
 
This type of model can be called '''silico''' derived, as it is a computer-assisted derivation for the equivalent computations, of the much more expensive numerical matrix-form.
 
This function is exact, just as the explicit Bloch-McConnell numerical treatments. It comes from a Maple derivation based on the Bloch-McConnell equations. It is much faster than the numerical Bloch-McConnell solution. It was derived by Nikolai Skrynnikov and is provided with his permission.
== Parameters ==
The NS CPMG 2-site expanded model has the parameters {$R_2^0${{:R2zero}}, $...$, $p_A${{:pA}}, $\Delta\omega${{:Deltaomega}}, $k_{ex{:kex}}$}.
== Code ==
The library code.<br>http://svn.gna.org/viewcvs/*checkout*/ {{relax/trunk/url|path=lib/dispersion/ns_cpmg_2site_expanded.py?revision=HEAD}}
== Reference ==
The reference for the NS CPMG 2-site expanded model is:
* Tollinger, M{{#lst:Citations|Tollinger01}} == Code origin == The code originates as optimization function number 5 from the fitting_main_kex.py script from Mathilde Lescanne, SkrynnikovPaul Schanda, Nand Dominique Marion (see the [http://thread. Rgmane.org/gmane., Mulder, Fscience. Anmr. Arelax.devel/4138 mailing list discussion], Forman-Kay, Jthe [https://gna. D., org/task/?7712#comment2 relax task with attached code] and Kay, Lthe [https://gna. Eorg/support/download. (2001php?file_id=18262 file]). Slow dynamics in folded and unfolded states of an sh3 domain Links to the copyright licensing agreements from all authors are: * [http://article.gmane. ''Jorg/gmane. Amscience. Chemnmr. Socrelax.''devel/4279 Nikolai Skrynnikov], '''123'''(46)* [http://article.gmane.org/gmane.science.nmr.relax.devel/4276 Martin Tollinger], 11341-11352* [http://article.gmane.org/gmane.science.nmr. (relax.devel/4271 Paul Schanda],* [http://dxarticle.doigmane.org/10gmane.science.nmr.relax.devel/4138 Mathilde Lescanne],* [http://article.1021gmane.org/ja011300z 10gmane.science.nmr.1021relax.devel/ja011300z4157 Dominique Marion]).
== Links ==
The [[Relaxation dispersion citation for relax|implementation of the NS CPMG 2-site expanded model in relax]] can be seen in the:
* [http://www.nmr-relax.com/manual/NS_2_site_expanded_CPMG_modelThe_NS_2_site_expanded_CPMG_model.html relax manual],
* [http://www.nmr-relax.com/api/3.1/lib.dispersion.ns_cpmg_2site_expanded-module.html API documentation],
* [http://www.nmr-relax.com/analyses/relaxation_dispersion.html#NS_CPMG_2-site_expanded relaxation dispersion page of the relax website].
== See also ==
[[Category:Relaxation_dispersionModels]][[Category:Dispersion models]][[Category:Relaxation dispersion analysis]]
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