Re: Feature request: Model-free fitting with eta_xy data

Hi Sven, Sorry for not getting back to you earlier, I have been extremely busy lately. Please see below: On 25 April 2017 at 14:52, Sven Wernersson wrote: > Hi again, > > It seems that the tutorial you linked only applies for supporting data from > new experiments

Re: Github nmr-relax project.

Hi Edward. > > That is fine to delete the old one. > > Best > Troels > > 2017-01-04 20:49 GMT+01:00 Edward d'Auvergne <edw...@nmr-relax.com>: >> >> On 17 November 2016 at 20:35, Troels Emtekær Linnet >> <tlin...@nmr-relax.com> wrote: >> &g

Re: Github nmr-relax project.

On 17 November 2016 at 20:35, Troels Emtekær Linnet <tlin...@nmr-relax.com> wrote: > 2016-11-16 15:06 GMT+01:00 Edward d'Auvergne <edw...@nmr-relax.com>: >> >> Hi Troels, >> >> I was wondering if you could add me as an admin to the GitHub >>

Maintenance release of relax 4.0.3.

Hi, Just a heads up - to ship all of the changes to relax since May, which is rather minor, I will try to release relax 4.0.3 today. This makes it easier for the release process, as then there are not too many changes to format for the release notes. If there is anything important to still be

Re: r28236 - /trunk/devel_scripts/

That is rather old then! On 1 October 2016 at 12:02, Troels Emtekær Linnet <tlin...@nmr-relax.com> wrote: > yes. :) > > 2016-10-01 10:00 GMT+02:00 Edward d'Auvergne <edw...@nmr-relax.com>: >> >> On 1 October 2016 at 09:49, <tlin...@nmr-relax.com> wrote: >

Re: r28234 - in /trunk/devel_scripts: deploy_google_computing_redhat_6_86_x64.sh openmpi_test_install.sh

On 1 October 2016 at 11:37, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > On 1 October 2016 at 11:26, Edward d'Auvergne <edw...@nmr-relax.com> wrote: >> On 1 October 2016 at 01:21, <tlin...@nmr-relax.com> wrote: >>> Author: tlinnet >>> Date: Sat

Re: r28234 - in /trunk/devel_scripts: deploy_google_computing_redhat_6_86_x64.sh openmpi_test_install.sh

On 1 October 2016 at 11:26, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > On 1 October 2016 at 01:21, <tlin...@nmr-relax.com> wrote: >> Author: tlinnet >> Date: Sat Oct 1 01:21:30 2016 >> New Revision: 28234 >> >> URL: http://svn.gna.org/viewcvs

Re: r28234 - in /trunk/devel_scripts: deploy_google_computing_redhat_6_86_x64.sh openmpi_test_install.sh

On 1 October 2016 at 01:21, wrote: > Author: tlinnet > Date: Sat Oct 1 01:21:30 2016 > New Revision: 28234 > > URL: http://svn.gna.org/viewcvs/relax?rev=28234=rev > Log: > Added initial script for testing openmpi. > > Added: >

Re: r28236 - /trunk/devel_scripts/

On 1 October 2016 at 09:49, wrote: > Author: tlinnet > Date: Sat Oct 1 09:49:01 2016 > New Revision: 28236 > > URL: http://svn.gna.org/viewcvs/relax?rev=28236=rev > Log: > Making a Redhat 6 deploy script, which will upgrade python from 2.6 to 2.7 > > The normal

Re: [sr #3345] Inversion recovery curve fitting

On 3 June 2016 at 10:28, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > On 13 May 2016 at 04:07, Henry <no-reply.invalid-addr...@gna.org> wrote: >> URL: >> <http://gna.org/support/?3345> >> >> Summary: Inversion recovery cur

Re: Independence of the new lib.system module.

On 20 April 2016 at 11:41, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > Hi Troels, > > In running the test suite, I noticed the following test failing: > > $ ./relax --verification-tests Library.test_library_independence > > The problem is the lib.system module

Independence of the new lib.system module.

Hi Troels, In running the test suite, I noticed the following test failing: $ ./relax --verification-tests Library.test_library_independence The problem is the lib.system module, in that you cannot import the status module. Instead you should call status.observers.system_cwd_path.notify()

Re: r28199 - /trunk/pipe_control/script.py

On 2 April 2016 at 22:45, wrote: > Author: tlinnet > Date: Sat Apr 2 22:45:58 2016 > New Revision: 28199 > > URL: http://svn.gna.org/viewcvs/relax?rev=28199=rev > Log: > When the userfunction script() is called, a notification of pipe_alteration > is made. > > This will

Re: r28198 - /trunk/gui/relax_gui.py

On 2 April 2016 at 22:10, wrote: > Author: tlinnet > Date: Sat Apr 2 22:10:15 2016 > New Revision: 28198 > > URL: http://svn.gna.org/viewcvs/relax?rev=28198=rev > Log: > Optimising the width of the statusbar. > > Modified: > trunk/gui/relax_gui.py > > Modified:

Re: r28191 - /trunk/lib/system.py

Hi Troels, This is an interesting concept, having an observer object set up to monitor the current directory change! Note that in almost all of the auto-analyses in the GUI, that the results directory "Change" button has a similar effect. However this is not seen by the observer, so the status

Re: r28182 - /trunk/gui/relax_gui.py

On 2 April 2016 at 15:46, wrote: > Author: tlinnet > Date: Sat Apr 2 15:46:09 2016 > New Revision: 28182 > > URL: http://svn.gna.org/viewcvs/relax?rev=28182=rev > Log: > Adding a relax gui menu for changing the current working directory. > > Modified: >

Re: r28176 - /trunk/user_functions/sys_info.py

On 2 April 2016 at 13:40, wrote: > Author: tlinnet > Date: Sat Apr 2 13:40:03 2016 > New Revision: 28176 > > URL: http://svn.gna.org/viewcvs/relax?rev=28176=rev > Log: > Adding the new user function: system.cd(path). > > This is to change the current working dirextory. >

Re: r28168 - in /trunk: graphics/oxygen_icons/16x16/places/ lib/ user_functions/

On 2 April 2016 at 12:38, wrote: > Author: tlinnet > Date: Sat Apr 2 12:38:41 2016 > New Revision: 28168 > > URL: http://svn.gna.org/viewcvs/relax?rev=28168=rev > Log: > Added a new 16x16 icon for the oxygen folder-favorites icon. > > Added: >

Re: r28167 - /trunk/user_functions/sys_info.py

On 2 April 2016 at 11:36, wrote: > Author: tlinnet > Date: Sat Apr 2 11:36:00 2016 > New Revision: 28167 > > URL: http://svn.gna.org/viewcvs/relax?rev=28167=rev > Log: > In the GUI the userfunctions sys_info() and time() are now grouped into a > "system" subclass. > >

Re: distribute your software in NMRbox

On 29 March 2016 at 21:51, The NMRbox Team wrote: > Dear Edward: > > You have developed software that we would like to include in NMRbox, a > resource developed by the NIH-supported National Center for Biomolecular NMR > Data Processing and Analysis. You can learn more about our

Parking of relax, minfx, and bmrblib at GitHub, GitLab and SourceForge.

Hi, For reference, I have set up the following projects/groups, firstly at SourceForge: https://sourceforge.net/projects/nmr-relax/ https://sourceforge.net/projects/minfx/ https://sourceforge.net/projects/bmrblib/ And at GitHub (Troels set up the nmr-relax project here):

Re: Scientific software "relax" at cloud.sagemath.com ?

Hi Troels, I'll respond to this message here on the relax-devel mailing list, before it gets too far. I think that the SageMath servers are far from ideal for running relax. Such 'cloud' servers, or others you can 'rent' from internet service providers, are not designed for serious number

Re: Scientific software "relax" at cloud.sagemath.com ?

On 24 November 2015 at 10:25, Troels Emtekær Linnet wrote: > Hi Edward. > > You are probably right. > > What you refer to is the latest wiki page I am "playing with". > http://wiki.nmr-relax.com/Install_relax_cloud.sagemath.com#Checkout_relax_and_build > > Here I have a

Re: relax in the cloud ?

On 23 November 2015 at 10:08, Troels Emtekær Linnet wrote: > Hi Edward. > > I have happily used: > http://www.sagemath.org/ > https://cloud.sagemath.com/ > > in some teaching of python. > > The benefits are well explained here: > http://www.sagemath.org/library-why.html > >

Re: r28082 - /trunk/specific_analyses/relax_disp/data.py

On 22 November 2015 at 16:02, wrote: > Author: tlinnet > Date: Sun Nov 22 16:02:42 2015 > New Revision: 28082 > > URL: http://svn.gna.org/viewcvs/relax?rev=28082=rev > Log: > In the function of r2eff_read, in data module of the dispersion, added the > possibilities to

Re: r28088 - in /trunk/test_suite/shared_data/dispersion/Paul_Schanda_2015_Nov: 2_load_data_GUI.py temp_state.bz2

Hi Troels, If you have a look at this commit message, you'll see a binary diff. To avoid this, make sure that the svn:mime-type is set to a binary file type on your binary file type. For example using: $ svn propset svn:mime-type application/octet-stream Maybe I should convert the following

Re: r28088 - in /trunk/test_suite/shared_data/dispersion/Paul_Schanda_2015_Nov: 2_load_data_GUI.py temp_state.bz2

Hi Troels, I have already fixed this: http://article.gmane.org/gmane.science.nmr.relax.scm/25843 Note that git-svn cannot set or change Subversion properties, so the lack of svn:mime-type is often due to this git-svn deficiency. Regards, Edward On 23 November 2015 at 12:46, Edward

Re: relax in the cloud ?

gt;> >> relax could be called through a ipython notebook. >> And the output of results should be viewed in the browser. >> >> This will be an extremely powerful expansion. >> And users can write "notebooks" on the analysis development. >> >> Best >> Troels &g

Re: [sr #3303] Automatic back-calculation of spin relaxation data

Hi Christina, I've had a look at your support request (https://gna.org/support/?3303) and have tried to come up with a solution: http://article.gmane.org/gmane.science.nmr.relax.scm/25842 For this, I had to reintroduce the "" and "" tags in the XML results file, otherwise relax cannot read

Re: r28076 - /trunk/lib/sequence.py

On 21 November 2015 at 15:08, wrote: > Author: tlinnet > Date: Sat Nov 21 15:08:17 2015 > New Revision: 28076 > > URL: http://svn.gna.org/viewcvs/relax?rev=28076=rev > Log: > Made additional check in sequence reading, that "nan" values are skipped. > > Modified: >

Wiki update - we now have collapsible elements, Infoboxes, and MessageBoxes!

Hi all, We now have 3 new features in the relax wiki! I have managed to get these running for relax by first testing them on the FlightGear wiki ( http://wiki.flightgear.org ). There are other features that also come with the new MediaWiki version, for example the builtin {{!}} template for

Re: Solution for the Scribunto MediaWiki Lua segmentation fault - "Lua error: Internal error: The interpreter exited with status 139".

On 22 October 2015 at 11:18, Troels Emtekær Linnet wrote: > Hi Edward. > > Brilliant work with the interpreter! > > That must surely have been painful... > > It is very problematic to test on the server, and it takes much more time! > > To get server info: > > Have you

Solution for the Scribunto MediaWiki Lua segmentation fault - "Lua error: Internal error: The interpreter exited with status 139".

Hi, I have finally found a solution for the error: Lua error: Internal error: The interpreter exited with status 139. No further details are available. Or when looking at the 'lua-error.log' file: Segmentation fault This was painful! It doesn't help that there is no solution written

Re: Solution for the Scribunto MediaWiki Lua segmentation fault - "Lua error: Internal error: The interpreter exited with status 139".

a closer matching lua binary file to run with less errors on the server. Cheers, Edward On 21 October 2015 at 15:27, Edward d'Auvergne <true.bug...@gmail.com> wrote: > Hi, > > I have finally found a solution for the error: > > Lua error: Internal error: The interpreter e

Re: Javascript problems on the relax wiki.

Thank you! Just shout out if you need assistance. Regards, Edward On 20 October 2015 at 15:50, Troels Emtekær Linnet <tlin...@nmr-relax.com> wrote: > I am currently trying. > > I will return. > > best > Troels > > 2015-10-20 15:41 GMT+02:00 Edward d'Auvergne <e

Re: Javascript problems on the relax wiki.

We are coming back: https://web.archive.org/web/20151020142128/http://wiki.nmr-relax.com/Main_Page :) On 20 October 2015 at 15:52, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > Thank you! Just shout out if you need assistance. > > Regards, > > Edward > >

Re: Javascript problems on the relax wiki.

I currently know absolutely nothing about .htaccess files, but might this offer a solution: http://www.fvue.nl/wiki/MediaWiki_error:_No_input_file_specified Regards, Edward On 20 October 2015 at 18:13, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > I think this is someth

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 17:48, Troels Emtekær Linnet wrote: > Hi. > > I have added extension: > https://www.mediawiki.org/wiki/Extension:Maintenance > http://wiki.nmr-relax.com/index.php?title=Special:Version > http://wiki.nmr-relax.com/index.php?title=Special:Maintenance > >

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 18:56, Troels Emtekær Linnet wrote: > Cheers. > > I think it was good to get updated. :) > > It stays one sharp in mediawiki. > > Hope someone finds this thread. > > :) It should receive a few Google hits - I think we've covered enough key words.

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 17:22, Troels Emtekær Linnet wrote: > These are commented out: > > #20151020 $wgArticlePath = "/$1"; > #20151020 $wgUsePathInfo = true; > > This now works > > http://wiki.nmr-relax.com > http://wiki.nmr-relax.com/index.php?title=Main_Page > > Still no

Re: Javascript problems on the relax wiki.

. > > > > 2015-10-20 18:31 GMT+02:00 Edward d'Auvergne <edw...@nmr-relax.com>: >> >> This is a tough one! >> >> On 20 October 2015 at 18:16, Edward d'Auvergne <edw...@nmr-relax.com> >> wrote: >> > I currently know absolutel

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 18:49, Troels Emtekær Linnet wrote: > I think you can leave the "old" version of .htaccess > > # Protect against bug 28235 > > RewriteEngine On > RewriteCond %{QUERY_STRING} \.[^\\/:*?\x22<>|%]+(#|\?|$) [nocase] > RewriteRule . - [forbidden] > # Fix

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 16:32, Troels Emtekær Linnet wrote: > Hi Edward. > > 1) I downloaded a backup of old wiki and made MYSQL dump > 2) I downloaded and unpacked new wiki > 3) At server, I deleted old files, and changed PHP version to 5.6 > 4) I uploaded new wiki files to

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 17:29, Troels Emtekær Linnet wrote: > I am looking into this: > > https://www.mediawiki.org/wiki/Manual:Maintenance_scripts I'm running an ftp dump at the moment, and am looking into possible file permission issues. Regards, Edward

Re: Javascript problems on the relax wiki.

This is a tough one! On 20 October 2015 at 18:16, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > I currently know absolutely nothing about .htaccess files, but might > this offer a solution: > http://www.fvue.nl/wiki/MediaWiki_error:_No_input_file_specified > > Regards, &

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 18:47, Troels Emtekær Linnet wrote: > NAILED IT! You might want to check this. I just ran the ftp command: ftp> rename .htaccess old.htaccess I think that might have had more of an impact ;) Regards, Edward

Re: Javascript problems on the relax wiki.

shedUploadDirectory > > This did not work > > I reenabled .htaccess. > Did not work. > > Has the md5 changed? > > 2015-10-20 17:53 GMT+02:00 Edward d'Auvergne <edw...@nmr-relax.com>: >> >> On 20 October 2015 at 17:48, Troels Emtekær Linnet >> &

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 16:44, Troels Emtekær Linnet wrote: > Hi Edward. > > We are up: > > http://wiki.nmr-relax.com/Main_Page > http://wiki.nmr-relax.com/Special:Version > http://wiki.nmr-relax.com/Javascript_testing > > The wiki is currently locked for editing: > >

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 13:00, Troels Emtekær Linnet wrote: > Hi Edward. > > In: > https://www.mediawiki.org/wiki/Manual:Collapsible_elements#NavFrame > > It says with red text, that MediaWiki version: ≤ 1.18 > > ?? Hi, Thanks for the quick response! The support should be

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 15:36, Troels Emtekær Linnet wrote: > Hi. > > When I upgrade from 5.3, the page is flooded with problems relating to: > > includes/MagicWord.php > > http://www.gossamer-threads.com/lists/wiki/mediawiki/504636 > > The fix is to update the wiki. > > Do

Re: Javascript problems on the relax wiki.

On 20 October 2015 at 15:36, Troels Emtekær Linnet wrote: > Hi. > > When I upgrade from 5.3, the page is flooded with problems relating to: > > includes/MagicWord.php > > http://www.gossamer-threads.com/lists/wiki/mediawiki/504636 > > The fix is to update the wiki. Is

Javascript problems on the relax wiki.

Hi Troels, I am having problems with javascript on the wiki, and was wondering if you might have an idea what the problem might be. I have been trying to set up a template to allow for collapsible scripts based on the NavFrame, to de-clutter some of the wiki articles. The template is:

Re: Wiki is weird

Hmmm, very strange! I haven't been on the wiki for quite a while and haven't changed anything for a month or two. Do your other wikis on the same infrastructure work ok? Cheers, Edward On 15 June 2015 at 13:58, Troels Emtekær Linnet tlin...@gmail.com wrote: Hi Edward. The wiki looks like

Re: [bug #23644] monte_carlo.error_analysis() does not update the mean value/expectation value from simulations

On 15 June 2015 at 15:33, Edward d'Auvergne edw...@nmr-relax.com wrote: On 15 June 2015 at 15:28, Troels Emtekær Linnet tlin...@nmr-relax.com wrote: Hi Edward. What do you think about this bug report? I added some figures, showing that the parameter values does not represent the expectation

Re: Wiki is weird

This link may be of interest: https://www.mediawiki.org/wiki/Thread:Project:Support_desk/Warning:_preg_replace%28%29:_Compilation_failed:_group_name_must_start_with_a_non-digit_at_offset_4_i Maybe the server infrastructure has been updated? Regards, Edward On 15 June 2015 at 14:05, Edward

Re: Wiki is weird

I've turned off certificate checking for the FTP client ( http://anils-tips.blogspot.de/2011/05/lftp-fatal-error-certificate.html ) and am now making a backup. Regards, Edward On 15 June 2015 at 14:19, Edward d'Auvergne edw...@nmr-relax.com wrote: On 15 June 2015 at 14:17, Troels Emtekær

Re: [bug #23644] monte_carlo.error_analysis() does not update the mean value/expectation value from simulations

On 15 June 2015 at 15:28, Troels Emtekær Linnet tlin...@nmr-relax.com wrote: Hi Edward. What do you think about this bug report? I added some figures, showing that the parameter values does not represent the expectation value of the Monte-Carlo simulation distribution. Did you see my

Re: Wiki is weird

On 15 June 2015 at 14:17, Troels Emtekær Linnet tlin...@gmail.com wrote: Hi Edward. It suggests updating. Do you have backups before I proceed? Like in the other mail, I have the MySQL dump, but FTP login is failing for me. Can you log in? It would be good to have a new FTP dump before a

Re: Wiki is weird

On 15 June 2015 at 15:27, Troels Emtekær Linnet tlin...@gmail.com wrote: This looks fine for me. Try purge cache Try adding: ?action=purge http://wiki.nmr-relax.com/Relax_3.3.7?action=purge I think you looking at it, or purging it, fixed it for me - the page was magically restored! Thanks

Re: [bug #23642] When deleting all spins for a residue, an empty placeholder is where select=True

Hi Troels, The change for this bug looks to be good ( http://thread.gmane.org/gmane.science.nmr.relax.scm/25601 ) - the test suite is unaffected and the spin viewer window in the GUI seems to be happy. Cheers, Edward On 13 June 2015 at 13:53, Troels E. Linnet no-reply.invalid-addr...@gna.org

Re: [bug #23618] queuing system for multi processors is not well designed.

Hi Troels, Just so you know, this is a problem I have tried to tackle before, but did not find a successful solution. It's a general problem with an MPI-based set up. It may be possible to have the slave nodes return progressive meta information back to the master to allow for this, but I

Re: r27834 - /trunk/auto_analyses/relax_disp_repeat_cpmg.py

On 27 May 2015 at 03:09, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Wed May 27 03:09:35 2015 New Revision: 27834 URL: http://svn.gna.org/viewcvs/relax?rev=27834view=rev Log: Wrote a method to store parameter data and dispersion curves, for the protocol of repeated analysis.

Re: r27840 - /trunk/auto_analyses/relax_disp_repeat_cpmg.py

Hi Troels, I'm not sure what this means yet, but I think this would be better stored in the status object. It could be a run time command line option --mp_verbosity which can be true or false, or set in a different way. The reason is because the multi-processor framework is not only for

Re: r27834 - /trunk/auto_analyses/relax_disp_repeat_cpmg.py

Hi Troels, Another point for the new write_convert_file() method, would this be doable as a Python rather than Bash script? This addition makes the analysis GNU/Linux or Mac OS X specific, and MS Windows users miss out. Or am I missing something? Cheers, Edward On 27 May 2015 at 03:09,

Re: r27844 - /trunk/multi/processor.py

Hi Troels, I would suggest reverting this change is it is detrimental for the model-free analyses where this chunking can really help. Maybe there is a way to do this on a per analysis level, but I'm not convinced that this change would help anyway. Cheers, Edward On 27 May 2015 at 03:09,

Re: [bug #23618] queuing system for multi processors is not well designed.

Hi Troels, Please see below: On 27 May 2015 at 02:10, Troels E. Linnet no-reply.invalid-addr...@gna.org wrote: URL: http://gna.org/bugs/?23618 Summary: queuing system for multi processors is not well designed. Project: relax Submitted by:

Re: r27842 - /trunk/multi/processor.py

On 27 May 2015 at 03:09, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Wed May 27 03:09:52 2015 New Revision: 27842 URL: http://svn.gna.org/viewcvs/relax?rev=27842view=rev Log: In multi.processor(), moving up the debugging print-out of running sets of calculatation. Modified:

Re: r27845 - /trunk/multi/processor.py

On 27 May 2015 at 03:09, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Wed May 27 03:09:59 2015 New Revision: 27845 URL: http://svn.gna.org/viewcvs/relax?rev=27845view=rev Log: Suggestion for fix 2, where jobs are continously replenished when other jobs are finished. Bug #23618:

Re: [bug #23618] queuing system for multi processors is not well designed.

On 27 May 2015 at 03:35, Troels E. Linnet no-reply.invalid-addr...@gna.org wrote: Follow-up Comment #5, bug #23618 (project relax): It is weird, that when calculations is not submitted, slave processors shows 100 %, and the master does it all. 13578 tlinnet 20 0 1315m 386m 25m R 133.6

Re: [bug #23619] Stored chi2 sim values from Monte-Carlo simulations does not equal normal chi2 values

Hi Troels, Maybe you can close this bug report: http://svn.gna.org/viewcvs/relax?view=revisionrevision=27846 Cheers, Edward On 28 May 2015 at 16:02, Troels E. Linnet no-reply.invalid-addr...@gna.org wrote: URL: http://gna.org/bugs/?23619 Summary: Stored chi2 sim values

Re: r27840 - /trunk/auto_analyses/relax_disp_repeat_cpmg.py

On 8 June 2015 at 16:28, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi Troels, I'm not sure what this means yet, but I think this would be better stored in the status object. It could be a run time command line option --mp_verbosity which can be true or false, or set in a different way

Re: wiki down again

Cheers! Let's see what happens. I have turned off my cron backup system (which were using the devel_scripts/wiki_ftpdump.sh and devel_scripts/wiki_mysqldump.sh scripts bundled with relax). In case all is lost, can it be restored from the FTP dump? My last was ftpdump_20150303_1325.tar.gz. I

Re: wiki down again

something with character set ? - Size of mysql ? - Type of database? On the host is several mySQL databases for different homepages. But they are all word-press databases. The databases which are gone are mediawiki databases. Best Troels 2015-04-30 9:41 GMT+02:00 Edward d'Auvergne edw...@nmr

Re: wiki is down

Hi, No, I haven't seen this. I was on there a few days ago (Monday I think) and everything was fine then. Thanks for looking into this! Cheers, Edward On 29 April 2015 at 10:08, Troels Emtekær Linnet tlin...@nmr-relax.com wrote: Hej Edward. The wiki is down. Have you seen this? I

Re: wiki is down

overwritten LocalSettings.php of relax wiki ! Here comes the golden question. Do you have a backup? Or else I will contact the the webhost, to see if the have a backup. Best Troels 2015-04-29 10:12 GMT+02:00 Edward d'Auvergne edw...@nmr-relax.com: Hi, No, I haven't seen this. I

The frame_order_cleanup branch and plans for a possible relax version 4.0.

Hi, I am planning in a few weeks time on merging the frame_order_cleanup branch back into the relax trunk. Despite the name, this branch is a huge change containing many, many commits and it completes the frame order theory implementation in relax - which in trunk is very rudimentary, incomplete

Re: [bug #23389] GUI tests segfaults in 3.3.7

2015 at 10:40, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi, Would anyone know of any tools in Mac OS X which can be used to track GUI object usage? In MS Windows, the task manager can be set up to display USER Objects and GUI Objects. I have used this for debugging to allow the GUI

Re: [bug #23389] GUI tests segfaults in 3.3.7

. Regards, Edward On 17 March 2015 at 11:54, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi, Here is a good example of where the Mac GUI limits can be tested: $ ./relax devel_scripts/memory_management/GUI_uf_time.py This repetitively calls the time user function 1 times. This uses

Re: [bug #23389] GUI tests segfaults in 3.3.7

Hi Jack, Maybe you might be able to help solve this problem. It is rather difficult and I think the easiest solution is to blacklist GUI tests from running on Mac OS X. However despite the segfaults, I find the tests useful to make sure all is well in the GUI on a Mac. The problem is either a

Re: [bug #23389] GUI tests segfaults in 3.3.7

. Then the memory runs out and Segmentation fault is printed and a window pops up saying that Python died unexpectedly. Regards, Edward On 15 March 2015 at 13:48, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi Jack, Maybe you might be able to help solve this problem. It is rather difficult

Re: [sr #3211] Provide veusz plots as an alternative to grace

On 9 February 2015 at 08:08, Justin (jlec) j...@gentoo.org wrote: On 08/02/15 22:05, Edward d'Auvergne wrote: Hi Justin, Here is another resource that may be of assistance. I have created a basic initial relax wiki page describing the plotting API: http://wiki.nmr-relax.com

Re: [sr #3211] Provide veusz plots as an alternative to grace

-relax.com/Plotting_API#Development). Regards, Edward On 6 February 2015 at 14:58, Edward d'Auvergne edw...@nmr-relax.com wrote: Ok, this is done. If you like, I could also duplicate the grace.write user function into a new plotting.write user function so that you have a software independent way

Re: [sr #3211] Provide veusz plots as an alternative to grace

Hi Justin, This should be possible. With discussions with Troels about 3D isosurface plotting, I created the space_mapping_refactor relax branch: http://thread.gmane.org/gmane.science.nmr.relax.scm/24009 http://svn.gna.org/viewcvs/relax/branches/space_mapping_refactor/ However in the

Re: [sr #3211] Provide veusz plots as an alternative to grace

() function is so basic I'll do that now for setting up more infrastructure for you to work with. Done: http://article.gmane.org/gmane.science.nmr.relax.scm/25348 Regards, Edward On 6 February 2015 at 14:18, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi Justin, If you are interested

Re: [sr #3211] Provide veusz plots as an alternative to grace

Hi Justin, If you are interested, then I'll do a quick code rearrangement of the Grace plotting code and then set up the API methods for plotting such data: http://www.nmr-relax.com/api/3.3/lib.software-module.html http://www.nmr-relax.com/api/3.3/lib.plotting-module.html You would then

Re: [bug #23244] Missing one fitting parameter in relaxation curve fitting report.

with relax-GUI? Thank you. Xiangyan On Feb 4, 2015, at 9:36 AM, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi Xiangyan, I'll look at creating a system test with your data now, and seeing how this can be fixed. For your suggestion of another graph, could you create a different report

Re: [bug #23186] Error calculation of individual parameter dw from Monte-Carlo, is based on first spin.

Hi Troels, I was wondering if this bug is still present in relax? The bug report is still open. Cheers, Edward On 14 January 2015 at 13:47, Troels E. Linnet no-reply.invalid-addr...@gna.org wrote: URL: http://gna.org/bugs/?23186 Summary: Error calculation of

Re: Fatal GUI Segmentation Fault bugs in wxPython 2.8.

/gmane.science.nmr.relax.scm/24992 r27243 - http://article.gmane.org/gmane.science.nmr.relax.scm/24994 However I will leave the documentation as is, so that users move away from the buggy wxPython 2.8 version. Regards, Edward On 19 January 2015 at 11:42, Edward d'Auvergne edw...@nmr-relax.com

Re: r27225 - /trunk/user_functions/monte_carlo.py

Hi Troels, For the user function description, could you expand the STD acronym? I guess this is the standard deviation (https://en.wikipedia.org/wiki/Standard_deviation), but STD is not the standard acronym for this (see https://en.wikipedia.org/wiki/STD and

Re: Releasing relax version 3.3.5.

, Edward d'Auvergne edw...@nmr-relax.com wrote: Well, the error I found is fixed. Great! The pseudo-solution I suggested didn't work so well, but the new test is passing with your code. I just wasn't sure if it was a complete solution as the bug report is still open (https://gna.org/bugs/?23186

Re: r27209 - /trunk/user_functions/monte_carlo.py

This looks good! Cheers, Edward On 16 January 2015 at 23:20, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Fri Jan 16 23:20:04 2015 New Revision: 27209 URL: http://svn.gna.org/viewcvs/relax?rev=27209view=rev Log: Extended user function monte_carlo.create_data() to accept

Re: r27203 - /trunk/specific_analyses/relax_disp/optimisation.py

Hi Troels, Could you rename spin.sos to spin.sse? This is the acronym used in the field and by other software - the sum of squared errors (https://en.wikipedia.org/wiki/Residual_sum_of_squares, http://www.palmer.hs.columbia.edu/software/modelfree_manual.pdf). If the individual SSE elements are

Re: r27219 - /trunk/specific_analyses/relax_disp/api.py

Hi Troels, This still has the same problems with the R2eff model as mentioned at http://thread.gmane.org/gmane.science.nmr.relax.scm/24963/focus=7490. Regards, Edward On 17 January 2015 at 17:25, tlin...@nmr-relax.com wrote: Author: tlinnet Date: Sat Jan 17 17:25:20 2015 New Revision:

Re: r27203 - /trunk/specific_analyses/relax_disp/optimisation.py

, which is not caught. I am looking into it. 2015-01-19 10:30 GMT+01:00 Edward d'Auvergne edw...@nmr-relax.com: Hi, Maybe we should discuss on the original thread the problem in detail and see if there is a solution. I wonder why the kex errors are so different? Regards, Edward

Re: [task #7882] Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals

10:31 GMT+01:00 Edward d'Auvergne edw...@nmr-relax.com: Hi Troels, Do you have a reference for the technique? You mentioned a 'fitting guide' in one of your commit messages, but without a reference to it. I would like to study the technique to understand the implementation. Does it have

Re: [task #7882] Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals

value. I would also like to see if this implementation is a new methodology that sits beside Monte Carlo simulations and Bootstrapping simulations, or if it can be used for both of these. Cheers, Edward On 16 January 2015 at 19:13, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi, Sorry, I

Fatal GUI Segmentation Fault bugs in wxPython 2.8.

Hi, Because of bug #23189 (https://gna.org/bugs/?23189), I'm considering depreciating wxPython 2.8 in relax. As it will still be present on many systems, I am thinking of implementing this as follows: - The dep_check module gives a warning when the program is started that the wxPython 2.8

Re: [task #7882] Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals

Hi Troels, I have used this regression book. http://www.graphpad.com/faq/file/Prism4RegressionBook.pdf I like the language (fun and humoristic), and goes over a great detail. For example, there is quite a list of weighting methods. I find the comments on page 28 a little disturbing. (See

Re: [task #7882] Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals

Hi Troels, You should be very careful with your interpretation here. The curvature of the chi-squared space does not correlate with the parameter errors! Well, it most cases it doesn't. You will see this if you map the space for different Monte Carlo simulations. Some extreme edge cases might

Re: [task #7882] Implement Monte-Carlo simulation, where errors are generated with width of standard deviation or residuals

in the hundreds. Errors are 5-10% of the fitted global parameters. Having 0.5-1 percent error is way to small, and I see this for 4 of my datasets. So, something is fishy. Best Troels 2015-01-16 17:30 GMT+01:00 Edward d'Auvergne edw...@nmr-relax.com: Hi Troels, You should be very

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