I am on redhat linux.
uname -a
Linux haddock 2.6.32-358.18.1.el6.x86_64 #1 SMP Fri Aug 2 17:04:38 EDT 2013
x86_64 x86_64 x86_64 GNU/Linux
in relax:
import wx
wx.__version__
'2.8.12.0'
------------
Hardware information:
Machine: x86_64
Processor: x86_64
Endianness: little
Total RAM size: 24013 Mb
Total swap size: 26191 Mb
Operating system information:
System: Linux
Release: 2.6.32-358.18.1.el6.x86_64
Version: #1 SMP Fri Aug 2 17:04:38 EDT 2013
GNU/Linux version: Red Hat Enterprise Linux Server 6.4 Santiago
Distribution: redhat 6.4 Santiago
Full platform string:
Linux-2.6.32-358.18.1.el6.x86_64-x86_64-with-redhat-6.4-Santiago
Python information:
Architecture: 64bit ELF
Python version: 2.6.6
Python branch: tags/r266
Python build: r266:84292, May 27 2013 05:35:12
Python compiler: GCC 4.4.7 20120313 (Red Hat 4.4.7-3)
Libc version: glibc 2.2.5
Python implementation: CPython
Python revision: 84292
Python executable: /usr/bin/python
Python flags: sys.flags(debug=0, py3k_warning=0,
division_warning=0, division_new=0, inspect=0, interactive=0, optimize=0,
dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0,
tabcheck=0, verbose=0, unicode=0, bytes_warning=0, hash_randomization=0)
Python float info: sys.floatinfo(max=1.7976931348623157e+308,
max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308, min_exp=-1021,
min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.2204460492503131e-16,
radix=2, rounds=1)
Python module path: ['/sbinlab2/software/NMR-relax/relax_disp',
'/sbinlab2/software/CCP4-Linux_6.3.0/ccp4-6.3.0/share/python',
'/net/tomat/home/tlinnet/kte/t1rho_NCBD/Original_data/relax',
'/sbinlab2/software/x64/haddock2.1',
'/sbinlab2/software/x64/lib64/python2.6/site-packages',
'/sbinlab2/software/x64/ccpnmr/ccpnmr2.3/python',
'/usr/lib64/python26.zip', '/usr/lib64/python2.6',
'/usr/lib64/python2.6/plat-linux2', '/usr/lib64/python2.6/lib-tk',
'/usr/lib64/python2.6/lib-old', '/usr/lib64/python2.6/lib-dynload',
'/usr/lib64/python2.6/site-packages',
'/usr/lib64/python2.6/site-packages/gst-0.10',
'/usr/lib64/python2.6/site-packages/gtk-2.0',
'/usr/lib64/python2.6/site-packages/webkit-1.0',
'/usr/lib64/python2.6/site-packages/wx-2.8-gtk2-unicode',
'/usr/lib/python2.6/site-packages',
'/usr/lib/python2.6/site-packages/setuptools-0.6c11-py2.6.egg-info']
Python packages and modules (most are optional):
Name Installed Version Path
minfx True 1.0.5
/usr/lib/python2.6/site-packages/minfx
bmrblib True 1.0.3
/usr/lib/python2.6/site-packages/bmrblib
numpy True 1.4.1
/usr/lib64/python2.6/site-packages/numpy
scipy True 0.7.2
/usr/lib64/python2.6/site-packages/scipy
wxPython True 2.8.12.0 (gtk2-unicode)
/usr/lib64/python2.6/site-packages/wx-2.8-gtk2-unicode/wx
mpi4py True 1.3.1
/usr/lib64/python2.6/site-packages/mpi4py
epydoc False
optparse True 1.5.3
/usr/lib64/python2.6/optparse.pyc
readline True
/usr/lib64/python2.6/lib-dynload/readline.so
profile True
/usr/lib64/python2.6/profile.pyc
bz2 True
/usr/lib64/python2.6/lib-dynload/bz2.so
gzip True
/usr/lib64/python2.6/gzip.pyc
io True
/usr/lib64/python2.6/io.pyc
xml True 0.8.4 (PyXML)
/usr/lib64/python2.6/site-packages/_xmlplus/__init__.pyc
xml.dom.minidom True
/usr/lib64/python2.6/site-packages/_xmlplus/dom/minidom.pyc
relax information:
Version: repository checkout
Processor fabric: Uni-processor.
relax C modules:
Module Compiled File type
Path
target_functions.relax_fit True ELF 64-bit LSB shared object,
x86-64, version 1 (SYSV), dynamically linked, not stripped
/sbinlab2/software/NMR-relax/relax_disp/target_functions/relax_fit.so
2013/10/23 Edward d'Auvergne <[email protected]>
> Hmmm, very strange. I just repeated your steps and managed to add the
> spin ":4" to 'model_cluster'. I cannot see the problem on my system.
> Which OS are you on and which wxPython version are you using? I might
> have to test this on a different OS!
>
> Cheers,
>
> Edward
>
>
>
> On 23 October 2013 18:04, Troels Emtekær Linnet <[email protected]>
> wrote:
> > Hi Edward.
> >
> > Version is:
> > 21219
> >
> > If I do this in the prompt:
> > --------
> > pipe.create(pipe_name='test', bundle='test', pipe_type='relax_disp')
> >
> > spin.create(spin_name='N', spin_num=1, res_name='V', res_num=2,
> > mol_name=None)
> > spin.create(spin_name='N', spin_num=2, res_name='F', res_num=3,
> > mol_name=None)
> > spin.create(spin_name='N', spin_num=3, res_name='G', res_num=4,
> > mol_name=None)
> > spin.create(spin_name='N', spin_num=4, res_name='R', res_num=5,
> > mol_name=None)
> > spin.create(spin_name='N', spin_num=5, res_name='C', res_num=6,
> > mol_name=None)
> >
> > relax_disp.cluster('model_cluster', ':2@N')
> > relax_disp.cluster('model_cluster', ':3@N')
> > ---------
> >
> > cdp.clustering
> > {'free spins': [':4@N', ':5@N', ':6@N'], 'model_cluster': [':2@N', ':3@N
> ']}
> >
> > Open Data Pipe Editor (Ctrl+d)
> > Right click the pipe, and click "Associate with new auto-analysis".
> >
> > The "free spins, model_cluster" is in the line.
> >
> > But if I Click "Cluster button", I cannot assign new spin ids to
> > 'model_cluster'
> > since that label is not available in the dropdown.
> >
> >
> > 2013/10/23 Edward d'Auvergne <[email protected]>
> >>
> >> This is strange. In the relax_disp branch I started the GUI with:
> >>
> >> $ relax -g
> >>
> >> Then started a new dispersion analysis, opened the prompt window and
> >> typed:
> >>
> >> relax> cdp.clustering = {
> >> 'free spins': [':5@N', ':9@N', ':11@N', ':12@N', ':13@N', ':14@N',
> >> ':25@N', ':31@N', ':33@N', ':39@N', ':42@N', ':80@N', ':87@N',
> >> ':89@N', ':90@N', ':111@N', ':121@N'],
> >> 'model_cluster': [':2@N', ':3@N', ':4@N', ':6@N', ':7@N', ':8@N',
> >> ':10@N', ':15@N', ':16@N', ':17@N', ':18@N', ':19@N', ':20@N',
> >> ':21@N', ':22@N', ':23@N', ':26@N', ':27@N', ':28@N', ':29@N',
> >> ':30@N', ':32@N', ':34@N', ':35@N', ':36@N', ':37@N', ':38@N',
> >> ':40@N', ':41@N', ':43@N', ':44@N', ':45@N', ':46@N', ':48@N',
> >> ':49@N', ':50@N', ':51@N', ':52@N', ':54@N', ':55@N', ':56@N',
> >> ':57@N', ':58@N', ':59@N', ':60@N', ':61@N', ':62@N', ':63@N',
> >> ':64@N', ':65@N', ':66@N', ':67@N', ':68@N', ':72@N', ':73@N',
> >> ':74@N', ':75@N', ':76@N', ':77@N', ':78@N', ':81@N', ':82@N',
> >> ':83@N', ':84@N', ':85@N', ':91@N', ':92@N', ':93@N', ':94@N',
> >> ':95@N', ':96@N', ':97@N', ':98@N', ':99@N', ':100@N', ':101@N',
> >> ':104@N', ':105@N', ':106@N', ':107@N', ':109@N', ':110@N', ':112@N',
> >> ':113@N', ':114@N', ':115@N', ':116@N', ':118@N', ':120@N', ':122@N',
> >> ':123@N', ':124@N', ':125@N', ':127@N', ':129@N']
> >> }
> >>
> >> Then when I click on the 'Cluster' button in the GUI, I can select
> >> both the 'free spins' and 'model_cluster'. Maybe I was a bit fast
> >> with the email. Could you update your code again, check that you have
> >> r21219, and then see if the problem is still there?
> >>
> >> Cheers,
> >>
> >> Edward
> >>
> >>
> >>
> >>
> >>
> >> On 23 October 2013 17:24, Troels Emtekær Linnet <[email protected]>
> >> wrote:
> >> > Hi Edward.
> >> >
> >> > I still see the same behavior.
> >> >
> >> > Best
> >> > Troels
> >> >
> >> >
> >> > 2013/10/23 Edward d'Auvergne <[email protected]>
> >> >>
> >> >> Hi Troels,
> >> >>
> >> >> This does look like it is an issue. I think I have located the
> >> >> problem to the _cluster_ids() method in
> >> >> specific_analyses/relax_disp/api.py. At least I fixed a bug in that
> >> >> method. Could you check again to see if it is fixed?
> >> >>
> >> >> Cheers,
> >> >>
> >> >> Edward
> >> >>
> >> >>
> >> >>
> >> >> On 22 October 2013 19:34, Troels Emtekær Linnet <
> [email protected]>
> >> >> wrote:
> >> >> > Hi Edward.
> >> >> >
> >> >> > Before I do a clustering analysis, I often prepare the data in
> >> >> > scripts,
> >> >> > save
> >> >> > the state, and then
> >> >> > inspect the setup in the GUI.
> >> >> >
> >> >> > I open the relax saved state.
> >> >> > Open the Data Pipe Editor (Ctrl+d)
> >> >> > Right click the pipe, and click "Associate with new auto-analysis".
> >> >> >
> >> >> > If I open the prompt (Ctrl+p), and write
> >> >> > cdp.clustering
> >> >> >
> >> >> > I get
> >> >> > {
> >> >> > 'free spins': [':5@N', ':9@N', ':11@N', ':12@N', ':13@N', ':14@N',
> >> >> > ':25@N',
> >> >> > ':31@N', ':33@N', ':39@N', ':42@N', ':80@N', ':87@N', ':89@N',
> >> >> > ':90@N',
> >> >> > ':111@N', ':121@N'],
> >> >> > 'model_cluster': [':2@N', ':3@N', ':4@N', ':6@N', ':7@N', ':8@N',
> >> >> > ':10@N',
> >> >> > ':15@N', ':16@N', ':17@N', ':18@N', ':19@N', ':20@N', ':21@N',
> >> >> > ':22@N',
> >> >> > ':23@N', ':26@N', ':27@N', ':28@N', ':29@N', ':30@N', ':32@N',
> >> >> > ':34@N',
> >> >> > ':35@N', ':36@N', ':37@N', ':38@N', ':40@N', ':41@N', ':43@N',
> >> >> > ':44@N',
> >> >> > ':45@N', ':46@N', ':48@N', ':49@N', ':50@N', ':51@N', ':52@N',
> >> >> > ':54@N',
> >> >> > ':55@N', ':56@N', ':57@N', ':58@N', ':59@N', ':60@N', ':61@N',
> >> >> > ':62@N',
> >> >> > ':63@N', ':64@N', ':65@N', ':66@N', ':67@N', ':68@N', ':72@N',
> >> >> > ':73@N',
> >> >> > ':74@N', ':75@N', ':76@N', ':77@N', ':78@N', ':81@N', ':82@N',
> >> >> > ':83@N',
> >> >> > ':84@N', ':85@N', ':91@N', ':92@N', ':93@N', ':94@N', ':95@N',
> >> >> > ':96@N',
> >> >> > ':97@N', ':98@N', ':99@N', ':100@N', ':101@N', ':104@N', ':105@N',
> >> >> > ':106@N',
> >> >> > ':107@N', ':109@N', ':110@N', ':112@N', ':113@N', ':114@N',
> ':115@N',
> >> >> > ':116@N', ':118@N', ':120@N', ':122@N', ':123@N', ':124@N',
> ':125@N',
> >> >> > ':127@N', ':129@N']
> >> >> > }
> >> >> >
> >> >> > But if I click the "Cluster" button, The cluster ID
> "model_cluster'",
> >> >> > is
> >> >> > not
> >> >> > available from the drop-down list.
> >> >> >
> >> >> > Should this be fixed?
> >> >> >
> >> >> > Best
> >> >> > Troels
> >> >> >
> >> >> > _______________________________________________
> >> >> > 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
> >> >> >
> >> >
> >> >
> >
> >
>
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