Hi, The MQ dispersion analysis is also most welcome to be added to relax. For the paper I'm thinking of creating a table of all the CPMG-type analytic and numeric models, all R1rho-type analytic and numeric models, and maybe now also the MQ models. These would be the rows, and the columns would be the published software. Then there would be ticks for which software supports which models. It should make a convincing argument for using relax. Do you know of any published software for multi-quantum dispersion data analysis?
Cheers, Edward On 23 July 2013 10:41, Paul Schanda <[email protected]> wrote: > Hi Edward, > > Thanks for your e-mails, and for this nice implementation. We are still in > the process of getting everything running. > > Concerning the copyright issues, can you please add Dominique Marion's name > in the copyright section of all the files and functions, he developed the > python scripts together with Mathilde, in 2013. Otherwise that's all fine > for me. > > Thanks. > > As a side comment, if you feel very motivated to move on, I have numerical > solutions of the Bloch-McConnell equations for the case of R1rho - but they > are still in Matlab, I have not properly translated them to Python. There > are also some MQ dispersion routines that we are working on. > > Thanks a lot for all this great work. I am looking forward to playing around > with the program. > > paul > > > On 23.07.13 10:28, Edward d'Auvergne wrote: > > Hi Paul, Mathilde and Dominique, > > I would like to finalise the copyright notices in your code that is now in > relax. This is in the lib/dispersion/ns_*.py files. If you have the > subversion program installed on your machine (all operating systems are > supported), you can get the code by typing at the terminal, cmd command > prompt, etc: > > $ svn co http://svn.gna.org/svn/relax/branches/relax_disp > > At the end of this message, you will see the copyright statements from these > files. But note that I have guessed the dates. And I have guessed who > added or modified this code. Please carefully check the dates and if your > name should be in the file - this information is incredibly important. > > Cheers, > > Edward > > > P. S. For Paul, I have the start date of 2010, as well as the additions of > new comments from 2013. For Mathilde, I have simply guessed a copyright on > all code and from 2013. I have added my name as I have modified the code to > better suite relax and to be faster: > > > [edward@localhost relax_disp]$ head lib/dispersion/ns_* > ==> lib/dispersion/ns_2site_3d.py <== > ############################################################################### > # > # > # Copyright (C) 2010-2013 Paul Schanda (https://gna.org/users/pasa) > # > # Copyright (C) 2013 Mathilde Lescanne > # > # Copyright (C) 2013 Edward d'Auvergne > # > # > # > # This file is part of the program relax (http://www.nmr-relax.com). > # > # > # > # This program is free software: you can redistribute it and/or modify > # > # it under the terms of the GNU General Public License as published by > # > > ==> lib/dispersion/ns_2site_expanded.py <== > ############################################################################### > # > # > # Copyright (C) 2010-2013 Paul Schanda (https://gna.org/users/pasa) > # > # Copyright (C) 2013 Mathilde Lescanne > # > # Copyright (C) 2013 Edward d'Auvergne > # > # > # > # This file is part of the program relax (http://www.nmr-relax.com). > # > # > # > # This program is free software: you can redistribute it and/or modify > # > # it under the terms of the GNU General Public License as published by > # > > ==> lib/dispersion/ns_2site_star.py <== > ############################################################################### > # > # > # Copyright (C) 2010-2013 Paul Schanda (https://gna.org/users/pasa) > # > # Copyright (C) 2013 Mathilde Lescanne > # > # Copyright (C) 2013 Edward d'Auvergne > # > # > # > # This file is part of the program relax (http://www.nmr-relax.com). > # > # > # > # This program is free software: you can redistribute it and/or modify > # > # it under the terms of the GNU General Public License as published by > # > > ==> lib/dispersion/ns_matrices.py <== > ############################################################################### > # > # > # Copyright (C) 2013 Mathilde Lescanne > # > # Copyright (C) 2013 Edward d'Auvergne > # > # > # > # This file is part of the program relax (http://www.nmr-relax.com). > # > # > # > # This program is free software: you can redistribute it and/or modify > # > # it under the terms of the GNU General Public License as published by > # > # the Free Software Foundation, either version 3 of the License, or > # > [edward@localhost relax_disp]$ > > > > -- > Paul Schanda, Ph.D. > Biomolecular NMR group > Institut de Biologie Structurale Jean-Pierre Ebel (IBS) > 41, rue Jules Horowitz > F-38027 Grenoble > France > +33 438 78 95 55 > [email protected] > http://www.ibs.fr/groups/biomolecular-nmr-spectroscopy?lang=en _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
