Relax GUI

2011-06-15 Thread Nico van Nuland
Hi I am trying to run relax with the graphical user interface, but I get the following error when I typ ³relax ­g²: RelaxError: no such option: -g Can someone explain me what is wrong, why it doesn¹t work and have a solution? Many thanks, Nico Dr. Ir. Nico van Nuland, PhD VIB group leader Biom

relax GUI

2012-08-08 Thread venkataraman
I had sent the error report as a text file for the o/p of relax --test-suite on x86_64-linux on centOS5. ___ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org To unsubscribe from this list, get a password remi

Re: Relax GUI

2011-06-15 Thread Edward d'Auvergne
Dear Nico, Welcome to the relax mailing lists. The problem is likely to be that you are using an old version of relax. You can see when you start relax without the '-g' option, the version must be greater than 1.3.9 for the graphical interface. If this is not the case, have a look at http://www

Re: Relax GUI

2011-06-15 Thread Nico van Nuland
Hi Edward Thanks for your fast reply! I am working on a Mac, and used " fink install relax-py25". I guess with that I installed the last version doing this, or not? When I type "relax --info" I get a similar error: RelaxError: no such option All best, Nico PS I am able to run relax, for instanc

Re: Relax GUI

2011-06-15 Thread Edward d'Auvergne
Hi, Not a problem. Unfortunately the relax version in fink is quite old. That version is 1.3.4 (http://pdb.finkproject.org/pdb/browse.php?name=relax). You will therefore have to use the source code releases (http://www.nmr-relax.com/download.html#Source_code_release). These will require a bit m

Re: Relax GUI

2011-06-15 Thread Sébastien Morin
Hi Nico, If, when you try to install relax from the source code repository on your Mac, you encounter problems, please feel free to ask for help. I have successfully installed relax this way on my Mac ! Best of luck, Séb :) On 11-06-15 5:27 PM, Edward d'Auvergne wrote: Hi, Not a proble

Re: Relax GUI

2011-06-15 Thread Jack Howarth
On Wed, Jun 15, 2011 at 05:27:04PM +0200, Edward d'Auvergne wrote: > Hi, > > Not a problem. Unfortunately the relax version in fink is quite old. > That version is 1.3.4 > (http://pdb.finkproject.org/pdb/browse.php?name=relax). You will > therefore have to use the source code releases > (http://

Re: Relax GUI

2011-06-15 Thread Edward d'Auvergne
Hi Jack, Thank you for your work with fink! Maybe Seb can help you with testing. If there is anything which could be added to the sconstruct scripts, please say and I can do that. If it can be worked out how to handle this, via darwin version checking or another method, it would be good to inte

Re: Relax GUI

2011-06-15 Thread Sébastien Morin
Hi Jack, Of course, if this can be of any help, I could test the fink versions of relax on my own system... Cheers, Séb :) On 11-06-15 5:49 PM, Edward d'Auvergne wrote: Hi Jack, Thank you for your work with fink! Maybe Seb can help you with testing. If there is anything which could be

Re: relax GUI

2012-08-08 Thread Edward d'Auvergne
Hi Venkat, I have seen the log file attached to your bug report (https://gna.org/bugs/?19987). There seems to be two separate issues here. The first is the two failures in the system tests. As you can probably see, this is for Art Palmer's Modelfree4 program. From the lower precision of the ch

Re: relax GUI

2012-08-08 Thread Edward d'Auvergne
Hi, Do you have the wx demos? You can download them from http://downloads.sourceforge.net/wxpython/wxPython-demo-2.8.12.1.tar.bz2 and run these directly. The results of the following tests are important: $ /programs/x86_64-linux/python/2.7.2/bin/python run.py GenericButtons.py $ /programs/x86_6

Re: relax GUI

2012-08-08 Thread Venkat V
Hi , Here is how wx-python was installed. ./configure --prefix=/programs/x86_64-linux/wxpython/2.8.12.1 --enable-unicode --with-gtk --with-gnomeprint --with-opengl --with-libjpeg=builtin --with-libpng=builtin --with-libtiff=builtin --with-zlib=builtin --enable-optimize --enable-debug_flag --enabl

Re: relax GUI

2012-08-09 Thread Venkat V
Hi Edward, Here is the o/p of the wx tests. $ which python /programs/x86_64-linux/python/2.7.2/bin/python sbtest@vm-11 [centos-5-x86_64] ~/test/relax/wxtest/demo $ python run.py Ge GenericButtons.py GenericDirCtrl.py GetMouseState.py sbtest@vm-11 [centos-5-x86_64] ~/test/relax/wxtest/demo $ p

Re: relax GUI

2012-08-09 Thread Edward d'Auvergne
Hi, Those are very strange errors! It might be an indication that the wxPython compilation failed. Does the version.py file that came with the wxPython demos match the wxPython version you have installed? I would suggest trying the 2.9 wxPython versions, or having a close look at the compilatio

Re: relax GUI

2012-08-09 Thread Venkat V
Hi Edward, To make sure wx_python has issues I tried the following: I tried the earlier version of relax 1.3.16 via ssh and that seg faults. But relax version 1.3.16 works when use RDP and try it with the same wx_python. venkat On Thu, Aug 9, 2012 at 9:03 PM, Edward d'Auvergne wrote: > Hi, >

Re: relax GUI

2012-08-09 Thread Edward d'Auvergne
n and test that instead. As the internal tests of the wxPython demos fail, then there will be no way to ever make the wxPython execute the relax GUI. These tests must, without question, pass otherwise there is no point even trying the relax GUI as the GUI will never work. If you can compile the

Re: relax GUI

2012-08-10 Thread Venkat V
stead. As the internal tests of the > wxPython demos fail, then there will be no way to ever make the > wxPython execute the relax GUI. These tests must, without question, > pass otherwise there is no point even trying the relax GUI as the GUI > will never work. If you can compile the lates

Re: relax GUI

2012-08-27 Thread Edward d'Auvergne
100% sure that the >> problem is, however, the wxPython installation. Please try to compile >> the 2.9 version and test that instead. As the internal tests of the >> wxPython demos fail, then there will be no way to ever make the >> wxPython execute the relax GUI. These tests

Re: relax GUI

2012-09-04 Thread Ben Eisenbraun
Hi Edward, > I was wondering if you'd had success with the newer wxPython versions? We haven't tried it yet. > Are the demo scripts running? Yes, the demo scripts all work fine with our existing wxPython installation. relax version 1.3.16 also works fine with the existing installation, so it's

Re: relax GUI

2012-09-04 Thread Edward d'Auvergne
Hi Ben, My suggestion to switch to the newer wxPython version was because of Venkat's message archived at: http://article.gmane.org/gmane.science.nmr.relax.user/1251 As he reported that the execution of the GenericButtons.py demo script with $ python run.py GenericButtons.py failed, and this i

Re: relax GUI problem

2012-07-30 Thread Edward d'Auvergne
Hi Venkat, I've been doing a number of tests, but unfortunately I cannot reproduce this problem at all. I can ssh into a machine 500 km away and run the relax GUI on my laptop without problem. I can also ssh between a number of different machines and run the GUI. Could you test if the GUI

Re: relax GUI problem

2012-07-30 Thread Venkat V
umber of tests, but unfortunately I cannot > reproduce this problem at all. I can ssh into a machine 500 km away > and run the relax GUI on my laptop without problem. I can also ssh > between a number of different machines and run the GUI. Could you > test if the GUI will run directl

Re: relax GUI problem

2012-08-06 Thread Edward d'Auvergne
from the command prompt with: $ relax --test-suite It will be interesting to see if you see a segfault after the system and unit tests, just when the GUI tests start. Could you also run the individual test categories with: $ relax --system-tests $ relax --unit-tests $ relax --gui-tests The firs

Re: relax GUI problem

2012-08-06 Thread Edward d'Auvergne
-suite > > It will be interesting to see if you see a segfault after the system > and unit tests, just when the GUI tests start. Could you also run the > individual test categories with: > > $ relax --system-tests > $ relax --unit-tests > $ relax --gui-tests > > The fi

relax gui - window resize issue

2015-03-30 Thread Lora Picton
Hi, I have relax running on my Ubuntu 12.04 laptop, and am running into a problem with the GUI. When trying to set up spin systems, the spin loading page is unable to be resized, and the buttons at the bottom are not visible, and thus not clickable. I have tried playing with the resolution and

Website updates for the relax GUI.

2012-03-19 Thread Edward d'Auvergne
Hi Michael, You might have seen through the relax-comm...@gna.org mailing list messages that I have recently updated the relax website (http://www.nmr-relax.com). As part of the changes, I have modified your text about the GUI on the relax features webpage (http://www.nmr-relax.com/features.html#

SH3, model-free failed (relax GUI)

2012-06-05 Thread Martin Ballaschk
very small and tau_m < 5ns) 4.) Model-free analysis within relax GUI * imported all relaxation data as described * CSA, bond length values: default values taken * unit vectors from 1AEY.pdb (averaged in relax) All the relax data of this run including the results files and consistency testing p

error while running relax-GUI tutorial

2014-11-17 Thread Prem Raj Joseph
Hello all, I was using the GUI version of the software to run the tutorial available in the manual for analysis of relaxation dispersion. When i execute the run I get the following error RelaxPipeError: RelaxError: The data pipe 'R2eff - relax_disp (Mon Nov 17 10:50:08 2014)' already exists. Not

Re: relax gui - window resize issue

2015-03-31 Thread Edward d'Auvergne
Hi Lora, Welcome to the relax mailing lists! For the problem you are seeing, do you mean that the spin viewer window (i.e. via the main menu View->Spin Viewer) cannot be resized? Or the spin loading wizard when clicking on the 'Load spins' button or selecting 'Load spins' from the right-click po

RE: relax gui - window resize issue

2015-03-31 Thread Lora Picton
ch 31, 2015 2:31 AM To: Lora Picton Cc: relax-users@gna.org Subject: Re: relax gui - window resize issue Hi Lora, Welcome to the relax mailing lists! For the problem you are seeing, do you mean that the spin viewer window (i.e. via the main menu View->Spin Viewer) cannot be resized? Or

Re: relax gui - window resize issue

2015-04-02 Thread Edward d'Auvergne
gt; Sent: Tuesday, March 31, 2015 2:31 AM > To: Lora Picton > Cc: relax-users@gna.org > Subject: Re: relax gui - window resize issue > > Hi Lora, > > Welcome to the relax mailing lists! For the problem you are seeing, > do you mean that the spin viewer window (i.e. via the

Re: SH3, model-free failed (relax GUI)

2012-06-05 Thread Edward d'Auvergne
sing of all spectra: Bruker TOPSPIN 3.1 > * peak picking with CCPN 2.2.1: >  o T1, T2 (pseudo-3D) picked with „Follow intensity changes“ function >  o HetNOE (2D planes) picked with „Heteronuclear NOE“ function > * T1, T2 analysed with relax' fitting function > * consisteny t

Re: SH3, model-free failed (relax GUI)

2012-06-05 Thread Martin Ballaschk
27;, force=True) Exception raised in thread. Traceback (most recent call last): File "/usr/local/relax/gui/analyses/execute.py", line 88, in run self.run_analysis() File "/usr/local/relax/gui/analyses/auto_model_free.py", line 765, in run_analysis dauvergne_prot

Re: SH3, model-free failed (relax GUI)

2012-06-05 Thread Edward d'Auvergne
nd=None, colour_list=None, file=None, > dir='/faust/TENSOR/sh3_EdA/final/pymol', force=True) > Exception raised in thread. > > Traceback (most recent call last): >  File "/usr/local/relax/gui/analyses/execute.py", line 88, in run >    self.run_analysis() >

Re: SH3, model-free failed (relax GUI)

2012-06-05 Thread Martin Ballaschk
gt; relax_data.delete(ri_id='noe.600') Traceback (most recent call last): File "/usr/local/relax/gui/interpreter.py", line 311, in run apply(fn, args, kwds) File "/usr/local/relax/prompt/relax_data.py", line 128, in delete relax_data.delete(ri_id=ri_id) File &

Re: SH3, model-free failed (relax GUI)

2012-06-05 Thread Edward d'Auvergne
c user functions which would do what you need (and maybe even try to add them yourself). > Also, deleting NOE data sets is failing here: > > relax> relax_data.delete(ri_id='noe.600') > Traceback (most recent call last): >  File "/usr/local/relax/gui/interpreter.py",

Re: SH3, model-free failed (relax GUI)

2012-06-08 Thread Martin Ballaschk
Hi Edward, On 05.06.2012, at 15:48, Edward d'Auvergne wrote: > Reading my thesis > (http://www.amazon.com/Protein-Dynamics-Model-free-Analysis-Relaxation/dp/3639057627) > might be easier :P I have to admit, I underestimated the amount of math knowledge which is needed to understand (and trouble

Re: SH3, model-free failed (relax GUI)

2012-06-08 Thread Martin Ballaschk
On 08.06.2012, at 12:04, Martin Ballaschk wrote: > It may well be that the NMR structure (1aey, from 1997!) does not reflect > reality well enough. At the moment relax is giving the crystal structure > (1shg, even older) with artificially added protons (Amber), and I'm hoping > that it'll yiel

Re: error while running relax-GUI tutorial

2014-11-18 Thread Edward d'Auvergne
Hi Prem, Welcome to the relax mailing lists! For the problem you are seeing, could you please create a bug report for this (https://gna.org/bugs/?func=additem&group=relax)? Cheers! It would be good to know what steps you took to encounter this bug, and where in the analysis the problem occurred

Re: error while running relax-GUI tutorial

2014-11-18 Thread Troels Emtekær Linnet
Dear Prem. Welcome to the mailing list! I guess that you mean the manual at: http://www.nmr-relax.com/manual/Contents.html The relaxation dispersion auto-analysis in the GUI http://www.nmr-relax.com/manual/The_relaxation_dispersion_auto_analysis_in_the_GUI.html Where the test data is in: test_s

Re: error while running relax-GUI tutorial

2014-11-18 Thread Troels Emtekær Linnet
Hi Prem. I added the tutorial here: http://wiki.nmr-relax.com/Tutorial_for_The_relaxation_dispersion_auto-analysis_in_the_GUI I tried to take power of the scripting, to get around the tedious work on defining the experiment settings for all spectra. So this script should take you to the "end po

Re: error while running relax-GUI tutorial

2014-11-18 Thread Edward d'Auvergne
Hi Troels and Prem, Troels, for a suggestion for improving the script in your tutorial, you could use: """ from time import asctime, localtime pipe_bundle = "relax_disp (%s)" % asctime(localtime()) pipe_name = "origin - %s" % pipe_bundle """ This is how the new analysis wizard in relax creates

Re: error while running relax-GUI tutorial

2014-11-18 Thread Edward d'Auvergne
Hi Troels, For the tutorial at http://wiki.nmr-relax.com/Tutorial_for_The_relaxation_dispersion_auto-analysis_in_the_GUI , I would suggest also adding that relax can be run using OpenMPI to speed up the relaxation dispersion analysis. So that if you have a machine with 8 cores and OpenMPI and pyt

Re: error while running relax-GUI tutorial

2014-11-19 Thread Prem Raj Joseph
Hello Troels and Edwards, The modified tutorial that you sent me worked fine. Looks like I might have done some mistake while setting up the run using the original GUI tutorial for relaxation dispersion. I will try the original tutorial again to make sure the setup was fine. if the error still pop

Re: error while running relax-GUI tutorial

2014-11-19 Thread Prem Raj Joseph
Hello Edward and Troels, I will take a look at the suggestion and try again. This is the first time I am using the program for relaxation dispersion analysis. I will also go through the tutorial one more time to make sure that I went through all the steps. I will also create the bug reports and se

Re: error while running relax-GUI tutorial

2014-11-19 Thread Prem Raj Joseph
Hello Edward, I tried the GUI version of the setup again for the relaxation dispersion (on the test data) and it ran without any error this time. Its possible I made some mistake during the setup thr last time. Thank again for the help Prem On Tue, Nov 18, 2014 at 5:27 AM, Edward d'Auvergne

Re: error while running relax-GUI tutorial

2014-11-24 Thread Edward d'Auvergne
Hi Prem, From the error message, this is within the automated analysis for relaxation dispersion. Creating the data pipe 'R2eff - relax_disp (Mon Nov 17 10:50:08 2014)' can only happen once, as the 'R2eff' model is only optimised once (there is a loop over all models). There is only one thing I