Dear Nikolai,
Welcome to the relax mailing lists. Thank you for your message, it is
much appreciated. I am assuming that Paul has contacted you about
this. The relaxation dispersion code from Paul Schanda, Mathilde
Lescanne, and Dominique Marion has been incorporated into the relax
software suite (http://www.nmr-relax.com). You can see this code
permanently at:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/?pathrev=20478
In the original source code and in the mailing lists, Paul has
indicated that your equations were used for the file now named
'ns_2site_expanded.py' in relax:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/ns_2site_expanded.py?revision=20464&view=markup&pathrev=20478
http://svn.gna.org/viewcvs/*checkout*/relax/branches/relax_disp/lib/dispersion/ns_2site_expanded.py?revision=20464&content-type=text%2Fplain&pathrev=20478
See the following mailing list thread for a discussion about your derivation:
http://thread.gmane.org/gmane.science.nmr.relax.devel/4174/focus=4175
If you have comments about a possible citation that can be used for
your derivation, that would be appreciated.
This code has been labelled as the 'NS 2-site expanded' model within
relax, for lack of a better name. It could be changed to 'NS 2-site
Skrynnikov' if you wish - that might be a more visible acknowledgement
for new NMR users. The 'NS' part is to indicate that this is a
numeric solution, as relax has support for most analytic models as
well. For the copyright, did you actually write the code in that
file? I can only legally add your name to the copyright notice if you
have copyright rights - i.e. you wrote it or a precursor. Note that
relax users will never see the copyright notices. You can see the
original code I used in Mathidle's file at
https://gna.org/support/download.php?file_id=18263 (see lines 274 to
354). If you could clarify the nature of your contribution, and the
more detail the better, that would be highly appreciated.
As for documentation for users, I have added some text about your
model to the relax manual which can be seen on page 156 in section
10.5.5 (http://download.gna.org/relax/manual/relax_disp_manual.pdf).
This includes your name. This description is obviously lacking, so
any suggestions will be happily added. The page and section numbers
will change as this chapter is in development and this model, which is
the default over the other 'NS 2-site *' models, will probably move up
the list. You name is also used when the users are choosing which
models to apply.
Cheers,
Edward
On 27 July 2013 21:21, Nikolai Skrynnikov <nikolai@xxxxxxxxxx> wrote:
I agree that my name is added to the copyright section of the software
package relax.
With best regards,
--
Nikolai R. Skrynnikov
Associate Professor
Department of Chemistry
Purdue University
560 Oval Drive
West Lafayette, IN 47907-2084
USA
phone: 765 - 494 8519
fax: 765 - 494 0239
e-mail: nikolai@xxxxxxxxxx
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