mailRe: [sr #3210] relaxation experimental data and fitting curve plot


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Posted by Edward d'Auvergne on February 05, 2015 - 10:16:
Hi Xiangyan,

Have you tried out Troels' helper relax script?  I may consider adding
this script to the relaxation curve-fitting auto-analysis - so that
the analysis creates this script and places it in the results
directory.  I think that will be the best approach for now.  In the
future, I might consider migrating the relax_disp.plot_disp_curve user
function into a generic grace.plot_curve function for use in all
dynamics analysis types.  But this will take much more time, which I
don't have at the moment.  I also just had a look at the
relax-announce mailing list settings, and can see that you are not
subscribed (via https://mail.gna.org/listinfo/relax-announce/).
Therefore you will probably miss the relax 3.3.6 release message which
is coming very soon (http://wiki.nmr-relax.com/Relax_3.3.6).  This
mailing list only receives 5-10 messages per year, here are all 62
messages since 2006:
http://news.gmane.org/gmane.science.nmr.relax.announce .

Regards,

Edward

On 4 February 2015 at 18:16, Troels E. Linnet
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #6, sr #3210 (project relax):

Added help.py script, that will make graphs per spin with intepolated 
values.

put "help.py" in the same folder as "r1.500.save.bz2".
Make sure that there is a folder called "grace".

run the script by:
relax help.py

This will open the state file, and interpolate values.
Changes to xmgrace settings can be made manually

in grace folder, there is a "grace2images.py" file.
Execute this, to make all xmgrace files into png, or eps.

(file #23718, file #23719, file #23720)
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Additional Item Attachment:

File name: help.py                        Size:3 KB
File name: int_51_T.agr                   Size:2 KB
File name: int_51_T.eps                   Size:14 KB


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