rho as function of theta (and looping over offset).
>
> I think I will now try to implement the relax_disp.write_disp_curves
> for R1rho as function of theta.
>
> best
> Troels
>
>
> Troels Emtekær Linnet
>
>
> 2014-03-12 13:54 GMT+01:00 Edward d'Auvergne
Hi Troels,
The returned values should actually be the tuple "(None, None, None,
None)" rather than the list of 4 None values. However with the return
statement, you do not need the brackets. Therefore all you need is
"return None, None, None, None". This is the standard way of
returning multipl
Hi Troels,
For a code simplification here, you could use the
self.assertNotEqual() method (see
http://docs.python.org/3/library/unittest.html#unittest.TestCase.assertNotEqual).
An even better way to test the file contents is to have a list of
strings of the file contents hardcoded into the system
nce.nmr.relax.devel/5164
>
> Best
> Troels
>
> Troels Emtekær Linnet
>
>
> 2014-03-12 17:45 GMT+01:00 Edward d'Auvergne :
>> Hi Troels,
>>
>> The R2_eff value stored in spin.r2eff should already contain the R1
>> contribution. Have a look lib.dispers
his issue when I am trying to solve it.
>
> Are you sure that I can't just expand
> specific_analysis.relax_disp.optimisation.back_calc_r2eff()
> All the needed data should be available there ?
>
> Best
> Troels
>
> Troels Emtekær Linnet
>
>
> 2014-03-12 18:35 GMT+01:00 Edward d'Auverg
Hi Troels,
Here you could use:
writing_vars.append(['theta',("Experiment_name",
"Field_strength_(MHz)", "Tilt_angle_(rad)", "R2eff_(measured)",
"R2eff_(back_calc)", "R2eff_errors")])
to avoid code duplication. Do you think that both should be produced
at the same time? Or would it be better to
Hi Troels,
Are you still interested in implementing the optimisation of the R1
relaxation rate for the R1rho dispersion models? If so, we should
probably discuss and plan how this would be best implemented here on
the mailing list. For example what new user functions should be added
(a user shou
Hi,
Please see below:
> As you may are aware, I am trying to reproduce parameters from the
> article of Kjaergaard et al. http://dx.doi.org/10.1021/bi4001062
>
> In this article, the R1 rate was fitted in the model of DPL94.
>
> At the moment, I am reading in the R1 fitted values from this articl
Hi Troels,
The value of R1rho' + Rex calculated by this script, do you know if it
has a name? It is the on-resonance component of the relaxation and is
equivalent to the data from the 'R1rho - R1' type experiments. But do
you know of a base publication which gives it a name? If this
'parameter'
Hi,
This is the standard way of calculating theta. Note that some of the
dispersion models in lib.dispersion do not use this code and actually
calculate a different theta value using the population averaged
spin-lock offset.
Regards,
Edward
On 13 March 2014 19:44, Troels E. Linnet
wrote:
>
'R1'] R_1 or Bar{R}_1
>
>
> The parameter is called R_2 or R_eff in the articles.
> Since reff is not used in relax, this could be used?
>
> A description could be:
> * The effective rate
> * The effective transverse relaxation rate constant
> * The effective relaxation rate constan
n be
> negative, then negative values
> are to be expected for w_1 / Omega.
>
> For the symmetry of atan, theta_calc = atan(-x) = - atan(x), the theta
> angle describing the tilted rotating frame relative to the laboratory
> frame should then be
> theta = pi + atan(-x) = pi - atan(x)
For a much better solution to this problem, see
http://thread.gmane.org/gmane.science.nmr.relax.devel/5119/focus=5214.
Regards,
Edward
On 14 March 2014 23:21, wrote:
> Author: tlinnet
> Date: Fri Mar 14 23:21:22 2014
> New Revision: 22480
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22480&v
etween -pi and pi.
>
> Is w_1 always applied in x-phase ?
> Is there anyway to imagine negative values for the field strength?
>
> Best
> Troels
>
> 2014-03-17 12:11 GMT+01:00 Edward d'Auvergne :
>> For a much better solution to this problem, see
>> http://th
Hi Troels,
Do you think it would be worth including those three plots you sent me
into the wiki page? Then the visitor to that page will see what the
script is capable of.
Regards,
Edward
On 17 March 2014 14:16, Troels E. Linnet
wrote:
> Update of sr #3124 (project relax):
>
>
Hi Stefano,
For mailing list messages, it is best to avoid attaching files. This
actually causes a lot of strain on the open source infrastructure as
the attachment is replicated many times and sent out to everyone
subscribed to the list. And it puts strain on the mailing list
archives (http://n
"apod_rmsd", by calling nmrPipe "showApod test.ft2"
> - Given a text file with folder positions to varian procpar files,
> collect offset, spinlock time etc.
>
> Best
> Troels
>
>
>
> 2014-03-17 14:20 GMT+01:00 Edward d'Auvergne :
>> Hi Tro
Hi Troels,
What would you propose as an implementation? One idea might be to add
a new page to the new analysis wizard in the GUI which appears if the
dauvergne_protocol auto_analysis is selected which explains what that
this is the dauvergne_protocol and that data at two fields is
essential. Th
Hi Troels,
This code can be simplified by not using lists and removing the list
length check, i.e. changing:
# Take median of parameters.
if len(pA) > 1:
pA = [median(pA)]
print("Median pA value: %.15f" % pA[0])
To:
# Take median of parameters.
erence to:
> http://www.nmr-relax.com/manual/d_Auvergne_protocol_script_mode_sample_script.html
>
> But I think that I haven't met any warning / errors that tells you
> really need to fields.
>
> Best
> Troels
>
>
> 2014-03-17 15:11 GMT+01:00 Edward d'Auvergne :
>> Hi Troels,
Hi,
Please see below:
> I think that even before that, there could be a memo?
That could be done.
> There is a line:
> Relaxation data list
> could that be:
> Relaxation data list - Add R1, R2 and NOE data for at least two fields?
For aesthetics, that would not look so great. There is probab
Hi Stefano,
There are two ways you can obtain these fixes. The first is the
simplest - you could wait until I release a new version of relax.
Though when a new release occurs is unknown (pressure from relax users
helps). Alternatively you can use the subversion program to obtain a
copy of relax
Hi,
I strongly disagree - this is a huge advantage of relax in comparison
to the competition. If the optimisation space is simple and works
fine and quickly, then it serves no purpose. But there are a number
of distinct and important advantages that differentiates relax from
the rest:
- For som
Hi Stefano,
The PDB chain IDs in relax are treated as separate molecules, as that
is how the chain IDs are defined in the PDB standard. In testing all
3 PDB files, I see:
"""
script = 'test.py'
p
Hi Troels,
In case you missed it, I have been deleting a number of spam bots from the wiki:
http://wiki.nmr-relax.com/index.php?title=Special:RecentChanges&from=2014032400
Somehow the new CAPTCHA method
(http://thread.gmane.org/gmane.science.nmr.relax.devel/4334/focus=4367)
has been defeated
Hi,
The following is planning document for adding support for matplotlib
graphing to relax. The plan will be broken into a few simple steps:
1) Module detection.
Firstly the dep_check module would need to be modified to detect the
presence of the matplotlib Python package. In addition, the
pa
Step 1 is now complete:
http://article.gmane.org/gmane.science.nmr.relax.scm/20298
http://article.gmane.org/gmane.science.nmr.relax.scm/20299
Regards,
Edward
On 27 March 2014 10:28, Edward d'Auvergne wrote:
> Hi,
>
> The following is planning document for adding support
lib.plotting.
Regards,
Edward
On 27 March 2014 10:28, Edward d'Auvergne wrote:
> Hi,
>
> The following is planning document for adding support for matplotlib
> graphing to relax. The plan will be broken into a few simple steps:
>
> 1) Module detection.
>
> First
does not appear to have a header from data
> separation, then maybe on write_xy() function can be written for 2D xy
> data plots. A different function for 3D data could be created as
> maybe write_3D().
>
>
> Note that at some point in the future, the plotting modules in
> lib.s
is to be sure
> there isn't a flaw in the code producing wrong values.
>
>
>
>
> relax 3.1.7
>
> Molecular dynamics by NMR data analysis
>
> Copyright (C) 2001-2006
You may have noticed a lot of changes recently to the specific analysis
API. Due to too many circular import headaches with the frame order
analysis coding, I decided to finally clean up the specific_analyses
directories. This has been on my mind for a long time. The relaxation
dispersion analys
up for the API redesign. And many changes in the branch are general for
the frame order analysis and not specific to that branch.
Regards,
Edward
On 3 April 2014 19:07, Edward d'Auvergne wrote:
> You may have noticed a lot of changes recently to the specific analysis
> API. Due
Hi Soumya,
The data look quite convincing. The pattern formed by your order
parameter trace seems to match the patterns in your base R2 and NOE
data. So this is a very good sign. There is a bit more variability
in your order parameters compared to the base data which could
indicate that the bon
Hi Troels,
There are a number of issues here, so I'll address them in a couple of
different emails. That will make the threads easier to follow.
Firstly for the system test, I would suggest to shorten the name.
Instead of typing:
$ relax -s
Relax_disp.test_kteilum_mhsmith_eschulz_lcchristensen_
Hi Troels,
This second thread at
http://thread.gmane.org/gmane.science.nmr.relax.devel/5302 will cover
the grid search.
> It seems I am having trouble using the: grid_search(lower=None,
> upper=None, inc=GRID_INC, constraints=True, verbosity=1)
> and finding that the order of spectrum.error_analy
Hi Troels,
This third thread at
http://thread.gmane.org/gmane.science.nmr.relax.devel/5302 will cover
the error analysis.
> Another thing that worries me, is the order how you perform the error
> analysis:
> If I set:
>
> relax> spectrum.replicated(s
ted spectra: ['800_933.33.in', '800_933.33.in.bis']
Standard deviation: 258.534014697
Variance averaging over all spectra.
Standard deviation for all spins: 170.37263779019497
"""
Here I've deleted the debugging printouts. For the first set, the
vari
Hi,
That looks interesting. I've CC'ed a few others who might also find
this paper interesting. Though Andrew Baldwin's words are very strong
- probably stronger than needed to justify the creation of a new
dispersion model. Note that reference 37 is:
Tollinger, M., Skrynnikov, N. R., Mulder,
Sorry, I should have mentioned that this is CC'ed to one of the relax
public mailing lists.
Regards,
Edward
On 22 April 2014 12:28, Edward d'Auvergne wrote:
> Hi,
>
> That looks interesting. I've CC'ed a few others who might also find
> this paper interesting
Hi Nikolai,
I have seen the same thing with the different dispersion data sets in
the relax test suite. The numerical model from the Maple expansion
appears to be rock solid. Well, at least your implementation which is
now in relax. It's only disadvantage is computation time - though
much faste
Hi Mengjun,
I have fixed the test suite problem. This was simply a lower
precision issue on MS Windows combined with hard-coded checks of
optimised parameter values. It will have no effect on any analysis
you preform. To obtain the fix, which you do not need, you will need
to wait until I relea
Hi Troels,
Did you see any performance improvements in your grid search with such a change?
Cheers,
Edward
On 22 April 2014 20:48, wrote:
> Author: tlinnet
> Date: Tue Apr 22 20:48:16 2014
> New Revision: 22821
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22821&view=rev
> Log:
> Lowered ra
Hi Troels,
Did you see a change in the system test time? The lower grid search
sizes are simply to allow the tests to complete faster.
Regards,
Edward
On 22 April 2014 20:48, wrote:
> Author: tlinnet
> Date: Tue Apr 22 20:48:18 2014
> New Revision: 22822
>
> URL: http://svn.gna.org/viewcvs
Hi Troels,
Why has this Relax_disp.test_tp02_data_to_tap03 system test been
modified? You need to add more explanation to the commit messages. I
don't understand what has changed to the TAP03 model
(http://wiki.nmr-relax.com/TAP03) to make the parameter values now be
different.
Cheers,
Edward
o change it back, and see what happens.
>
> I think it is quite unstable, with so low grid values.
>
>
>
>
>
> 2014-04-22 20:53 GMT+02:00 Edward d'Auvergne :
>>
>> Hi Troels,
>>
>> Did you see a change in the system test time? The lower grid searc
Great :)
On 22 April 2014 21:30, Troels Emtekær Linnet wrote:
> Yep, now pA values are much better found for my spins.
>
> I will wait to test the full setup, until the error analysis is fixed.
>
>
> 2014-04-22 20:51 GMT+02:00 Edward d'Auvergne :
>>
>&g
erence.in', dim=1, int_method='height', int_col=None,
> spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None,
> spin_num_col=None, spin_name_col=None, sep=None, spin_id=None, ncproc=None)
> RelaxError: The sequence data does not exist.
>
> Thank you.
>
Awesome! That's exactly the change I would have made.
I would also suggest to try to increase the system test coverage of
this to make sure it works in all cases, as well as to make sure that
any future code refactorisation or expansion doesn't break this. The
easiest way is to simply add more c
.action_relax_disp_relax_time(item=0)
> uf_store['relax_disp.relax_time'].wizard._go_next()
> interpreter.flush()
> analysis.peak_intensity.action_spectrometer_frq(item=10)
> uf_store['spectrometer.frequency'].wizard._go_next()
> interp
Hi Mengjun,
This is a simple case of handling file system paths and directories
correctly and understanding what the current directory is. When you
run a relax script, the current working directory (CWD) will be set to
the directory that contains the script. As you copied the script into
the bas
d to look at modifying the
observer objects of the status singleton object.
Regards,
Edward
On 23 April 2014 13:15, Troels Emtekær Linnet wrote:
> It passes fine.
>
> But I just saw these messages, and thought something is wrong?
>
> Best
> troels
>
>
> 2014-04-23 13:09
Hi Troels,
Maybe it would be better to hardcode the two variance averaged
standard deviations (126.05227793927868 and 265.7619655474242)
directly into the test. This would be just in case cdp.var_I somehow
changed and propagated the bug into cdp.sigma_I. The current tests
are great and should no
#x27;500_reference.in', dim=1, int_method='height', int_col=None,
> spin_id_col=None, mol_name_col=None, res_num_col=None, res_name_col=None,
> spin_num_col=None, spin_name_col=None, sep=None, spin_id=None, ncproc=None)
>
> RelaxError: The sequence data does not exist.
>
>
spersion/Hansen/" directory. And that
'500_reference.in' is used as the spectrum ID and is not a file.
Regards,
Edward
On 23 April 2014 15:03, Edward d'Auvergne wrote:
> Hi,
>
> Could you list the entire contents of the '500_MHz' folder? I must
> absolutely
s not your problem.
Cheers,
Edward
On 23 April 2014 15:13, Edward d'Auvergne wrote:
> Hi Mengjun,
>
> I also just checked the contents of the officially released relax
> 3.1.7 MS Windows distribution zip file. The reference.in_sparky file
> is in that directory. Note tha
PM 186 reference.in_trunc
> 03/17/2014 03:11 PM20 unresolved
> 59 File(s)101,959 bytes
>2 Dir(s) 133,432,352,768 bytes free
>
> I find the reference.in_spakry file, this file is shown as 'reference', the
&
>
>
> Best regards,
>
> Mengjun
>
>
>
> Quoting Edward d'Auvergne :
>
>> Hi Mengjun,
>>
>> Could you also run the script in debugging mode - with the "--debug"
>> command line option and create a new log file? The debugging option
>&
Traceback (most recent call last):
> File "prompt\interpreter.py", line 352, in exec_script
> runpy.run_module(module, globals)
> File "C:\Python27\lib\runpy.py", line 180, in run_module
> fname, loader, pkg_name)
> File "C:\Python27\lib\runpy.py
Molecular dynamics by NMR data analysis
>
>Copyright (C) 2001-2006 Edward d'Auvergne
> Copyright (C) 2006-2014 the relax development team
>
> This is free software which you are welcome to modify and redistribute under
> the con
e, please see the debug log file:
>
>
>
>
>
> relax 3.1.7
>
> Molecular dynamics by NMR data analysis
>
>Copyright (C) 2001-2006 Edward d'Auvergne
> Copyright (C) 2006-2014 the relax developm
the sample script into one of your own directories
and try again.
Regards,
Edward
On 23 April 2014 23:25, Edward d'Auvergne wrote:
> Hi,
>
> One failure source in Python with paths is sometimes if there is a
> space in a file or directory name. Is it possible to copy the entire
> I have tried the 'relax -i --tee log' command, but it does not create log
> file on my computer, I just copy the output from cmd window using editor
> mode:
>
>
>
> relax 3.1.7
>
> Molecular d
Hi,
I'm guessing you're talking about the dispersion auto-analysis, right?
Turning R20 off in the grid search is trivial when not using the
auto-analysis. Though using the minimum R2eff value for an initial
R20 value is not implemented yet - though a new user function could be
created for this.
eems my computer can still work well, it can run relax scripts,
> dauvergne_protocol.py can run smoothly, but it can not run cpmg_analysis.py,
> if it is hard disk failture, it means the computer will have some strange
> noise? and can not start windows system easily?
>
>
> Thank you.
&
gt;
>
>
> relax 3.1.7
>
> Molecular dynamics by NMR data analysis
>
>Copyright (C) 2001-2006 Edward d'Auvergne
> Copyright (C) 2006-2014 the relax development team
>
> This
batch file.
>
> C:\Users>cd..
>
> C:\>cd relax-3.1.7
>
> C:\relax-3.1.7>dir > test
>
>
> C:\relax-3.1.7>
>
> Thank you.
>
> Best regards,
>
> Mengjun
>
>
>
> Quoting Edward d'Auvergne :
>
>> Hi,
>>
>> Try
test_suite
> 04/24/2014 10:37 AM user_functions
> 03/17/2014 03:29 PM 4,437 version.py
> 04/01/2014 05:27 PM 2,567 version.pyc
> 55 File(s) 1,613,104 bytes
> 25 Dir(s) 130,722,390,016 bytes free
>
>
>
new
> ...
> relax> print "Hello"
> relax> quit
> C:\relax-3.1.7>
>
> I can find the log_new file, please following:
>
>
>
>
>
> relax 3.1.7
>
> Molecular dynamics by NMR data analysis
&
Hi Troels,
It'd be good to add an empty line before the comment (for the
whitespace conventions in relax,
http://www.nmr-relax.com/manual/Whitespace.html). You can also speed
this up by removing a test. The line
+elif index != None and mi == index:
Can be changed to:
+
Hi Troels,
Please see below for some comments. Note that most of this is because
this user function can have other purposes other than just speeding up
the grid search. This is essentially a custom value.set user
function, and as such it should be kept general.
Before I get to the user function
Hi,
I forgot to mention, but you have to be careful that the double space
is always present between sentences in the user function
documentation. This is needed for better formatting in the GUI text
elements.
Cheers,
Edward
On 29 April 2014 13:58, Edward d'Auvergne wrote:
> H
Hi Troels,
This code will not work on Python 3. To make sure something will run,
try the command:
$ 2to3 -j 4 -w \
-f buffer \
-f idioms \
-f set_literal \
-f ws_comma \
-x except \
-x import \
-x imports \
-x long \
-x numliterals \
-x xrange \
specific_analyses/relax_disp/optimisation.py
This
Hi,
That sounds very reasonable.
Regards,
Edward
On 29 April 2014 13:50, Troels Emtekær Linnet wrote:
> Hi Edward.
>
> I would like to change the default of pA from 0.5 to 0.95 and pB=0.05
>
> How does this sound?
>
> ___
> relax (http://www.nmr-r
Hi Troels,
You may want to insert some parameter value checking
self.assertAlmostEqual() calls after the grid_search user function
call. However this code almost seems to be duplicated. Is that
deliberate? Also don't forget the full stop at the end of all
comments.
Cheers,
Edward
On 25 Apr
Hi Troels,
I have few points about this change:
1) I think it would be good to put this lower down, between the "Per
model error analysis" and "Insignificance level" options.
2) The tooltop text should be expanded to explain the negative side
of this. Firstly this is experimental and I would
Hi,
I would maybe include a third paragraph saying that this is an
experimental unpublished feature of the dispersion analysis. And that
if R20 << min(R2eff), then the grid search will be performed in a
region of the optimisation space quite distant from the true minimum.
So if this is the case,
Hi,
For consistency with the other options and other analysis types, we
should have a colon ":" at the end of the text rather than a full
stop.
Cheers,
Edward
On 29 April 2014 15:12, wrote:
> Author: tlinnet
> Date: Tue Apr 29 15:12:24 2014
> New Revision: 22875
>
> URL: http://svn.gna.or
Hi,
I'm thinking about soon releasing relax 3.2.0 with all of the bug
fixes and the specific analysis API reorganisation and code cleanup.
Troels, do you have code lined up or plans which I should take into
account for this release?
Cheers,
Edward
___
on them before I get the pA issues solved.
>
> Anyway, maybe relax is in a good current state?
>
> Best
> Troels
>
>
> 2014-04-29 16:38 GMT+02:00 Edward d'Auvergne :
>> Hi,
>>
>> I'm thinking about soon releasing relax 3.2.0 with all of the bug
nterpolating theta through spin-lock offset [Omega], rather
>> than spin-lock field strength [w1]
>>
>> But I don't have plans to work on them before I get the pA issues solved.
>>
>> Anyway, maybe relax is in a good current state?
>>
>> Best
>> Tro
> I tried to generate sherekhan output, but since I have time_T2 of 0.04
> and 0.06, for the two fields,
> I cannot generate the input files for ShereKhan.
ShereKhan should support this, and it would be a good test for relax.
The second line of the input file has this time. Was it that relax
coul
Hi Troels,
You will need to remove the Python 3 fatal printout from this commit.
Cheers,
Edward
On 29 April 2014 19:56, wrote:
> Author: tlinnet
> Date: Tue Apr 29 19:56:08 2014
> New Revision: 22882
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22882&view=rev
> Log:
> Fix for setting the p
Ah, that was a remnant of the parameter averaging to parameter median
change for the clustering
(http://thread.gmane.org/gmane.science.nmr.relax.devel/4647/focus=4648).
Could you retroactively create a bug report for this? That would be
useful for the release notes.
Cheers,
Edward
On 29 Apri
J Biomol NMR (2013) 56:275–283
> dx.doi.org/10.1007/s10858-013-9747-5
>
> Best
> Troels
>
> 2014-04-29 15:14 GMT+02:00 Edward d'Auvergne :
>> Hi,
>>
>> I would maybe include a third paragraph saying that this is an
>> experimental unpublished
important bug there.
Regards,
Edward
On 30 April 2014 10:16, Edward d'Auvergne wrote:
>> I tried to generate sherekhan output, but since I have time_T2 of 0.04
>> and 0.06, for the two fields,
>> I cannot generate the input files for ShereKhan.
>
> ShereKhan should su
relax is rock solid.
Cheers,
Edward
On 30 April 2014 10:19, Edward d'Auvergne wrote:
> Ah, that was a remnant of the parameter averaging to parameter median
> change for the clustering
> (http://thread.gmane.org/gmane.science.nmr.relax.devel/4647/focus=4648).
> Could you retro
# The the median pA value returned.
> self.assertEqual(median(pA_values), spin.pA)
>
> # The the median kex value returned.
> self.assertEqual(median(kex_values), spin.kex)
>
> 2014-04-30 10:53 GMT+02:00 Edward d'Auvergne :
>> Hi Troels,
>>
>>
Hi Troels,
For the future, note that such things should be classified as a task
rather than a support request. The support requests are for users
asking for a feature rather than a developer interested in a new
feature.
Cheers,
Edward
On 30 April 2014 00:25, Troels E. Linnet
wrote:
> URL:
>
Hi Troels and Andy,
It would be great to incorporate this model into relax. I was
wondering what the origin and history of the code in the Baldwin.py
script was though?
Looking at the code and equations (http://wiki.nmr-relax.com/B14), I'm
wondering if it would be easier for you Troels to simply
Hi Troels,
Maybe you should add this BK13 model, as well as B14
(http://wiki.nmr-relax.com/B14) to the TODO section of the dispersion
chapter of the relax manual? It could also be added to the table in
the docs/latex/dispersion_software.tex file for completeness. I am
unaware of any software whi
Hi Andy,
> The origin of the code was my fat head.
That's good enough :)
> One thing relevent: the cofactors i've called F0 and F2 turned out the same
> as used by Carver and Richards. In my hands at least, there is a faster way
> of computing them using trig functions rather than
> square-root
Hi Troels,
I'm not sure, but maybe you'll have to create a new function called
loop_exp_frq_time()? You will probably end up with too many files
otherwise. Alternatively, and probably better, would be to use the
loop_exp_frq() function as before, but then add a new function to
return all times f
Hi Troels,
Is this commit correct? The commit message and the code change are
not 100% compatible.
Cheers,
Edward
On 30 April 2014 15:05, wrote:
> Author: tlinnet
> Date: Wed Apr 30 15:05:48 2014
> New Revision: 22891
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22891&view=rev
> Log:
> Ad
Hi Troels,
This commit message also doesn't seem to match the changes. Are the
changes correct?
Cheers,
Edward
On 30 April 2014 15:05, wrote:
> Author: tlinnet
> Date: Wed Apr 30 15:05:52 2014
> New Revision: 22893
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22893&view=rev
> Log:
> Turni
> None 140A NoneN
> 8.89216425477085None
> None 141G NoneN
> 2.354941400505None
> None 142S NoneN
> 3.50895251891688None
> None 143 R
?
>
>
> Best regards,
>
> Mengjun
>
>
>
> Quoting Edward d'Auvergne :
>
>> Hi,
>>
>> You're right! After looking at that for a while, I can see that that
>> feature is not working any more! It used to be that the --log and
>> --tee opti
Hi Troels,
There is a major problem with the relax_disp.sherekhan_input user
function. When I run the test with the debugging flag, at the end I
see:
relax> relax_disp.sherekhan_input(force=True, spin_id=None,
dir='/tmp/tmp77syAE')
Opening the file '/tmp/tmp77syAE/cluster1/sherekhan_frq1.in' for
> Important is.
> turn_on_local_dir_test = False
>
> But I also added extra tests.
>
> 2014-04-30 16:25 GMT+02:00 Edward d'Auvergne :
>> Hi Troels,
>>
>> This commit message also doesn't seem to match the changes. Are the
>> changes correct?
>
th excited state structures etc that get people
> interested in CPMG, come from that approach.
>
> Best,
>
> Andy.
>
>
>
>
> On 30/04/2014 11:09, Edward d'Auvergne wrote:
>>
>> Hi Troels,
>>
>> Maybe you should add this BK13 model, as w
Hi Troels,
For safety, it would be good to count the amount of times in the
loop_time() loop and then fail with a RelaxError if the count is > 1.
Cheers,
Edward
On 30 April 2014 17:14, wrote:
> Author: tlinnet
> Date: Wed Apr 30 17:14:18 2014
> New Revision: 22895
>
> URL: http://svn.gna.or
1 - 100 of 3495 matches
Mail list logo
