Of Edward d'Auvergne
Sent: quinta-feira, 7 de Abril de 2011 10:46
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: How to set S2f to 0.111?
Hi,
I've looked up that line in the specific_fns/model_free/mf_minimise.py
file, and it looks like you are using an older version of relax.
Could you
Hi,
Unfortunately, there is no ability to fix one of the model-free
parameters during optimisation in relax yet. This is something that
has been requested one or two times over the years. This is
complicated as the gradients and Hessians (first and second partial
derivates) need to be modified
Hi,
Unfortunately this print out information is not enough for me to
determine what the problem is. The problem could be earlier when you
read in the sequence. If you could submit a bug report, that would be
much appreciated (https://gna.org/bugs/?func=additemgroup=relax). If
you could include
do not get any of the relaxation
data output, just blank files.
On Wed, Mar 9, 2011 at 5:53 AM, Edward d'Auvergne edw...@nmr-relax.com
wrote:
Hi,
Unfortunately this print out information is not enough for me to
determine what the problem is. The problem could be earlier when you
read
have it working now. I resolved it by uncommenting the
spectrum.baseplane_rmsd line and removing the spin_id part of that
command. I knew it was something simple to do with using the new
script compared to the old one. Thanks for your help.
On Wed, Mar 9, 2011 at 11:12 AM, Edward d'Auvergne edw
-
| From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
| Behalf Of Edward d'Auvergne
| Sent: Thursday, February 24, 2011 4:53 AM
| To: Cho, Min-Kyu
| Cc: relax-users@gna.org
| Subject: Re: ImporError
|
| Hi,
|
| I've now build the C modules using Python 2.6.6
-8725
Phone: 615-936-3757 / Fax: 615-936-2211
| -Original Message-
| From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
| Behalf Of Edward d'Auvergne
| Sent: Friday, February 25, 2011 4:13 AM
| To: Cho, Min-Kyu
| Cc: relax-users@gna.org
| Subject: Re
dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2011 the relax development team
This is free software which you are welcome to modify and redistribute under
the
conditions of the GNU General Public License (GPL
Hi,
This can be tricky. Can you estimate the percentage of monomer verses
dimer? Can you also estimate the amount of time the peptide binds to
the receptor? Do you have binding data for the NMR sample conditions?
If the more than 90% of the receptor is bound to the peptide and the
time bound
Hi,
I've now build the C modules using Python 2.6.6 with numpy 1.5.1, on
MS Windows 2000. The file is called relax-1.3.10.Win32.py26.zip and
you can find it at http://download.gna.org/relax. Could you test this
one out?
Cheers,
Edward
2011/2/24 Edward d'Auvergne edw...@nmr-relax.com:
Hi
Hi,
Are you using the Win32 compiled version from
http://www.nmr-relax.com/download.html? Could you run:
$ relax --info
and copy the result? The problem here is that the C modules for the
relaxation curve-fitting of the R1 and R2 rates is either not compiled
or the compiled version is
...@gmail.com [mailto:edward.dauver...@gmail.com] On
| Behalf Of Edward d'Auvergne
| Sent: Tuesday, February 22, 2011 10:45 AM
| To: Cho, Min-Kyu
| Cc: relax-users@gna.org
| Subject: Re: ImporError
|
| Hi,
|
| This is quite strange! The Win32 distribution should have worked :S
works!
Regards,
Edward
2011/2/22 Edward d'Auvergne edw...@nmr-relax.com:
Hi,
This message is actually a little different. The DLL load failed
message means that the file (maths_fns/relax_fit.dll) exists but it
cannot be loaded. In the message I gave, the file does not exist.
Unfortunately
being recorded in
the relax test suite for future reference and research into model-free
analysis (see
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/model_free.py?view=markup).
Cheers,
Edward
On 28 January 2011 18:03, Edward d'Auvergne edw...@nmr-relax.com wrote:
Hi
...
Maddy
On Mon, January 10, 2011 10:52 am, Edward d'Auvergne wrote:
Oh, if it is volumes, then that would be a problem. Hopefully it is
easy for them to sort out at their end, and also easy for you to
convert your old data to heights.
Regards,
Edward
On 10 January 2011 11:50, Maddy
.
Cheers,
Edward
On 10 January 2011 11:00, Edward d'Auvergne edw...@nmr-relax.com wrote:
Hi,
I can confirm a recently introduced bug in relax whereby the prolate
tensor is actually oblate! I will try to solve this as soon as
possible and release a new relax version. Strangely
December 2010 20:33 +0100
From: Edward d'Auvergne edw...@nmr-relax.com
To:
Cc: m.strickl...@bristol.ac.uk, relax-de...@gna.org
Subject: Re: [bug #17341] Compatibility with CCPN Analysis2.1
Hi Maddy,
I'm in the process of adding this data to the relax test suite, and
noticed
This is a major feature release which includes many bug fixes and a
security fix. Major additions include the addition of 9 new frame
order models, execution locking, support for CCPN Analysis 2.1 peak
lists, Monte Carlo simulations for the N-state model, optimisation of
the Ln3+ position in the
!
--
Message: 2
Date: Tue, 14 Dec 2010 23:27:14 +0100
From: Edward d'Auvergne edw...@nmr-relax.com
Subject: Re: [Fwd: relax-users Digest, Vol 54, Issue 3]
To: Maddy Strickland m.strickl...@bristol.ac.uk
Cc: relax-users@gna.org
Message-ID:
aanlktimz6oqvbw7ibo1xddyhgwyz7r+tacrrspacz
to be compiled. See the 'Source code release'
section at http://www.nmr-relax.com/download.html for more details.
If you have any questions, please don't hesitate to ask.
Regards,
Edward
On 14 December 2010 11:22, Edward d'Auvergne edw...@nmr-relax.com wrote:
Hi Leanne,
I've added your randomised
Hi Vitaly,
Thank you for identifying this problem. I just had a question, is the
atom named 'CH2' within the PDB file? If you don't mind, would you be
able to create a bug report for this? This would be much appreciated
as it would help other relax users who encounter the same problem as
you
-requ...@gna.org
You can reach the person managing the list at
relax-users-ow...@gna.org
When replying, please edit your Subject line so it is more specific
than Re: Contents of relax-users digest...
Today's Topics:
1. Re: List Index out of Range (Edward d'Auvergne
Dear Leanne,
Welcome to the relax mailing lists. The error you have found seems to
be from a new bug in relax. I don't think anyone has encountered this
one before. It would be very much appreciated if you could report
this within the relax bug tracker
to the tutorial.
Of course, it would be better if the problem was fixed, since this, as you
said, may scare people off Gna! website...
Cheers,
Séb :)
On 10-11-29 10:48 AM, Edward d'Auvergne wrote:
Hi,
I've had a look at this and it seems to be an easily solvable issue.
It has been reported
Hi Maddy,
You are welcome! I have answered your questions below.
On 21 July 2010 16:59, M Strickland m.strickl...@bristol.ac.uk wrote:
Dear Edward,
Thank you for your help concerning running Relax earlier in the year. I
have now successfully run the full_analysis.py script on two
Hi,
Wow, that's an incredible number of iterations! Have you tried
Sebastien's consistency testing to see if there could be a problem
with the data? The reference is in Seb's sample script that comes
with relax. Is this a single domain protein? As for this bug, I've
had a look at the code and
Hi,
For the ellipsoid model, my experience is that ~15 rounds of
optimisation are required. I can't reinforce enough how complex the
model-free combined optimisation and model selection problem actually
is (all explained in d'Auvergne E. J., Gooley P. R. (2007). Set theory
formulation of the
Hi Dungeng,
Welcome to the relax mailing lists! For your questions, firstly can
you type 'relax' from anywhere and relax executes? Which operating
system is this running on, and which version of relax? I'll answer
your questions below:
On 27 April 2010 19:33, D. Peng dgp...@gmail.com wrote:
Hi Daniel,
Don't worry about what I said about the diffusion tensor. I was just
changing some diffusion tensor input code at the time, but the
full_analysis.py doesn't use this anyway. It should be perfectly fine
to use the code as is.
Regards,
Edward
2010/3/17 Edward d'Auvergne edw...@nmr
Zürich
Phone: +41 44 633 25 37
E-mail: daniel.pe...@mol.biol.ethz.ch
On Mar 17, 2010, at 1:14 PM, Edward d'Auvergne wrote:
Hi,
The trick here is to have a look at the new full_analysis.py sample
script. This has changed quite a lot since relax-1.3.4. Most of the
script has been shifted
PM, Edward d'Auvergne wrote:
Hi,
Ah, that was a real bug. I've now fixed it, so if you type 'svn up'
in your checked out copy of relax, you will have the bug fix.
Hopefully there won't be any more bugs hidden in there!
Cheers,
Edward
2010/3/17 Daniel Pérez daniel.pe...@mol.biol.ethz.ch
with
the
command...
%p/bin/python%type_raw[python] %p/bin/scons
in relax-py.info. I really wouldn't worry about these remaining fink
patches as they are trivial to apply in relax-py.patch during the fink
build of relax-py.
Jack
On Fri, Feb 26, 2010 at 09:54:19AM +0100, Edward d'Auvergne
Hi,
I've answered below:
On 24 February 2010 20:53, Carl Diehl carl.di...@bpc.lu.se wrote:
Hi.
Well, the mail server said that it tried sending three times before giving up.
Anyway, sofar I've used relax 1.2.XX both for fitting and modelfree-selection.
Is there a any major difference in the
Edward
d'Auvergne [edw...@nmr-relax.com]
Skickat: den 24 februari 2010 16:07
Till: Carl Diehl
Kopia: relax-users@gna.org
Ämne: Re: Palmer model selection
Hi,
It's strange that your mail bounced. Did you use a different email
address? Maybe the mail server was down for a little while :S
12:41 PM, Edward d'Auvergne wrote:
Hi Seb,
Could you paste the output of 'relax -i'? This will help in working
out what is happening and will be useful to have on record.
Cheers,
Edward
On 22 February 2010 18:30, Edward d'Auvergneedw...@nmr-relax.com wrote:
I just installed relax
Hi,
See below:
On 21 February 2010 20:59, Sébastien Morin sebastien.mori...@ulaval.ca wrote:
Hi,
I just installed relax on a Mac using fink.
relax-py26 1.3.4-2 Protein dynamics by NMR relax. data analysis
I also installed the dependencies using fink.
minfx-py26 1.0.2-1
Hi,
This model selection method used to be supported in relax. No one has
used it in many, many years, so this code has deteriorated and appears
not to work anymore. I think this was last used in the 0.3 relax
versions well over 7 years ago. The deterioration might be related to
relax now
Hi Maddy,
Welcome to the relax mailing lists. This bug has been encountered
before and was submitted as a bug report (https://gna.org/bugs/?14885)
by Tiago Pais (tpais att itqb dott unl dott pt). I have fixed this
bug but not released a new relax version yet with this fix. However
you can
are all extracted and get S2 values for all
of them.
Cheers
TiagoP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 6 de Janeiro de 2010 16:42
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re
...@itqb.unl.pt]
Sent: segunda-feira, 18 de Janeiro de 2010 12:45
To: 'Tiago Pais'; 'Edward d'Auvergne'
Cc: relax-users@gna.org
Subject: Problem with modsel.py
Hi,
But not everything is still well.
After sucessufully running the mf_multimodel.py with multiple spins, now I
am having problems
Message-
From: Edward d'Auvergne [mailto:edward.dauver...@gmail.com]
Sent: segunda-feira, 4 de Janeiro de 2010 10:46
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: Extracting vectors from multiple spins
Hi,
You could try something such as:
relax structure.vectors(spin_id='@CA
.
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 6 de Janeiro de 2010 16:17
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: Extracting vectors from multiple spins
Hi,
This is strange, it should
Hi,
You could try something such as:
relax structure.vectors(spin_id='@CA', attached='H1', ave=False)
and:
relax structure.vectors(spin_id='@CB', attached='H2', ave=False)
if that is how the atoms are named. Hope this helps.
Regards,
Edward
2009/12/17 Tiago Pais tp...@itqb.unl.pt:
Hi,
This is the same problem as you reported at
https://mail.gna.org/public/relax-users/2009-10/msg00015.html. Would
you be able to create a bug report for this (at
https://gna.org/bugs/?group=relax)? If you could include data for a
single spin that triggers the problem, that would be much
...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: segunda-feira, 4 de Janeiro de 2010 12:43
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: Models tm4 to tm8 not working
Hi,
This is the same problem as you reported at
https://mail.gna.org/public
be found for example with the
diffusion_tensor.display() function?
TP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: segunda-feira, 14 de Dezembro de 2009 18:47
To: Tiago Pais
Cc: relax-users@gna.org
2009/12/13 Ed Olejniczak edward.t.olejnic...@vanderbilt.edu:
(1) I ran through the protocol and generated in the aic directory a
xml file.
How do I view it?
Hi,
I just received this earlier email. Maybe I can answer your questions
a bit more than last time. You can download and install an
Hi,
I haven't found a way to make this totally obvious yet. To select
between these global models, you need to set up the global model. For
this, the diffusion tensor should not be fixed. If not fixed, then
the tensor is part of the model and all the model-free models for all
spins are linked
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: segunda-feira, 14 de Dezembro de 2009 15:46
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: AIC to select diffusion model
Hi,
I haven't found a way
did not know that u was prefix for Unicode, in that case, the
problem lies most probably somewhere. I did not have time to test Michael
solution, but it goes in the same direction of an encoding problem.
Thanks a lot,
Olivier Serve
Le 1 déc. 2009 à 23:18, Edward d'Auvergne a écrit :
Hi
did not have time to test Michael
solution, but it goes in the same direction of an encoding problem.
Thanks a lot,
Olivier Serve
Le 1 déc. 2009 à 23:18, Edward d'Auvergne a écrit :
Hi,
Ok, I'll wait. I've noticed that u'u' is actually the 'u' character
in Unicode. I'll definitely
2009/11/28 Tiago Pais tp...@itqb.unl.pt:
Well, I am getting a bit frustrated with all this.
Hi,
I'm sorry to hear this. I'll try to help you below.
I am trying to run the mf_multimodel script just to make the model selection
and the determination of S2 values.
I want the diffusion tensor
,
Edward
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 16 de Setembro de 2009 16:49
To: Tiago Pais
Cc: relax-users@gna.org; Vic Vostr
Subject: Re: CH3 relaxation
Hi,
One can always
Dear Boaz,
I'm afraid to tell you, but you will need to study and understand the
area of model-free analysis prior to applying it (at least a little
anyway, you cannot bypass the scientific knowledge ;) A good
introduction is chapter 1 of my PhD thesis downloadable at
Hi Michael,
That script is quite useful, I need to get a few of these into the
sample scripts directory. Note that the results that Boaz has are not
those of a complete analysis and should not be presented (the
diffusion tensor is not optimised so the results will be full of
artifacts). One
Hi,
No, I have not had a chance to try this software. Which specific
package did you mean though? None of the softwares E-SpiReS, C++OPPS,
or DITE from their basic descriptions are for the analysis of standard
NMR relaxation data using SRLS theory. Maybe I would need to do some
more research
TP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 2 de Setembro de 2009 13:19
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: error message when running
Hi,
This looks like a python
in your bugzilla.
Jack
On Tue, Aug 18, 2009 at 03:38:13PM +0200, Edward d'Auvergne wrote:
Thank you very much! I've applied this patch to the 1.3 development
branch (this is 'trunk', but note there is also a 1.2 'trunk') as
revision r9332. For the other changes, I would like
Hi,
I'm looking into this problem now. Could it be that the Python or
numpy C header files (python-2.6-devel or numpy-devel) are not
installed? The distribution files for 64-bit GNU/Linux I made for
relax-1.3.4 were built using Python 2.6 with numpy, and this caused no
problems. It looks very
Hi,
Thank you for building these packages (or at least attempting for now
;). I'm still looking into the problem, but it's looking like the
Python header files are missing or are from an old version. Do you
know if this could be the issue, that the Python development packages
are out of date or
'] = SCons.Util.CLVar('$LINKFLAGS')
env['SHLIBSUFFIX'] = '.so'
to build against the fink python24 and python25 packages.
Jack
On Mon, Aug 17, 2009 at 03:55:06PM +0200, Edward d'Auvergne wrote:
Hi,
It could be, that Python 2.6 dynamically linked libraries are now
compiled
/exponential.os maths_fns/relax_fit.os
Cheers,
Edward
2009/8/17 Edward d'Auvergne edw...@nmr-relax.com:
Hi,
The way we can solve this issue is to first type the gcc linking
command by hand, rather than using scons. Then once all is
functional, I can fix the Scons script. Here is what Douglas
/lib64
# FIX: note the assumed unix path syntax
echo PYTHON_LIBDIRNAME=`$python \
-c 'from distutils.sysconfig import *; \
print get_config_var(LIBDIR).split(/)[-1]'`
On Mon, Aug 17, 2009 at 05:15:57PM +0200, Edward d'Auvergne wrote:
Hi,
The way we can solve this issue
/exponential.os maths_fns/relax_fit.os
...isn't picking up /sw/lib/python2.6/config/libpython2.6.dylib for linkage.
Jack
On Mon, Aug 17, 2009 at 06:34:33PM +0200, Edward d'Auvergne wrote:
Hi,
Does one of the following commands compile the module (with the
test-suite
. I really think we need to explicitly
link in /sw/lib/python2.6/config/libpython2.6.dylib.
Jack
On Mon, Aug 17, 2009 at 07:08:31PM +0200, Edward d'Auvergne wrote:
Hi,
I don't think this is an issue, as the include directories should only
contain *.h C header files. Can you find
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2009 the relax development team
This is free software which you are welcome to modify and redistribute
under the conditions of the
GNU General Public License (GPL). This program
Hi,
Thanks to the work of Sebastian Morin, the reading of nmrView peak
lists has been added. However peak lists from nmrDraw is not yet
supported. CCPN might be able to convert this to XEasy, Sparky, or
nmrView format. I will also be adding support for a generic formatted
file (where all data
On Mon, Jul 20, 2009 at 3:56 PM, Douglas
Kojetindouglas.koje...@gmail.com wrote:
Hi Edward,
I'll give it a try. It doesn't seem like it should be too hard. I planned
on calling the function intensity_nlinls() -- the peak list is from the
NMRPipe suite, but the peak list reading procedure
Dear Fatiha,
Welcome to the relax mailing lists! This should be quite a simple
problem to solve, but a little more information is required to work
out what is happening. Are you using the sample script that comes
with relax? When you run the script, do you receive any errors or
warnings? My
Hi,
Welcome to the relax mailing lists. This is quite a peculiar error, I
haven't seen that one before. Would you be able to submit a bug
report for this problem? This can be done at
https://gna.org/bugs/?group=relax. Thanks. Also, if you create a
tiny data set which reproduces this error
Hi,
You may have found a bug there. Model elimination is tested in the
test suite, but maybe you have some circumstances that trigger an
unusual bug. Would you be able to make a bug report? This would help
in tracking down what is happening. It can be done here:
On Thu, Mar 12, 2009 at 6:05 PM, Sébastien Morin
sebastien.mori...@ulaval.ca wrote:
Hi,
In an attempt to find the problem causing this bug, I dug into the code
and found something which could be erroneous... This alone does not fix
the bug, but may be part of the fix (or not)...
In function
On Thu, Mar 12, 2009 at 7:04 PM, Sébastien Morin
sebastien.mori...@ulaval.ca wrote:
Edward d'Auvergne wrote:
On Thu, Mar 12, 2009 at 6:05 PM, Sébastien Morin
sebastien.mori...@ulaval.ca wrote:
Hi,
In an attempt to find the problem causing this bug, I dug into the code
and found something
Note, the typo is not in equations 8.197a-c on page 319, only in the
first equation of the rotation matrix elements.
Regards,
Edward
On Thu, Mar 12, 2009 at 8:23 PM, Edward d'Auvergne
edward.dauver...@gmail.com wrote:
On Thu, Mar 12, 2009 at 7:04 PM, Sébastien Morin
sebastien.mori
On Mon, Mar 9, 2009 at 6:58 PM, Pierre-Yves Savard
pierre-yves.sav...@bcm.ulaval.ca wrote:
Hi,
I would like to know if the Rex values given in the xml result file of
relax 1.3 are expressed in s-1 or if it is the result of the following
formula: Rex/(2 * π * freq)**2?
The value is in
On Tue, Mar 10, 2009 at 6:23 PM, Sébastien Morin
sebastien.mori...@ulaval.ca wrote:
Hi Ed,
PY is next to me and we discussed this issue together.
This seems very strange since values of the AICc criterion (extracted
during model selection) are not equal for models with or without these
Hi,
This depends on which format you would like to use. There is one
script, sample_scripts/latex_mf_table.py, that will generate a LaTeX
table from your model-free data. If this is not what you need, then
the output text file could possibly also be imported into Excel as a
field delimited file
Hi,
Sorry for not getting back to this message earlier, I've had a few
deadlines lately. Please see below for more.
On Wed, Feb 4, 2009 at 9:16 PM, Sébastien Morin
sebastien.mori...@ulaval.ca wrote:
Hi Ed,
I tried what you proposed...
from
On Wed, Feb 11, 2009 at 8:45 PM, Pierre-Yves Savard
pierre-yves.sav...@bcm.ulaval.ca wrote:
Hi Edward,
Thank you again for your reply.
Here are some clarifications:
1. I have attached the script I am using (full_analysis-sphere.py).
Cheers.
2. In fact, SEQ_ARGS[6] is set to an integer
Hi,
Tyler, would you know what fixed the first traceback issue? I'd like
to try to fix that in relax as any traceback message in relax is
considered a bug. The only errors that don't count as bugs are the
RelaxError messages. This one seems like a directory issue within the
structure section
Cheers! That response pretty much covers it. I'm not sure if this is
exactly the error I fixed for you Tyler, but I think the repository
version doesn't have this problem. It would be useful to get the
repository version anyway as then the debugged version will be
instantly acessable by typing:
, which is very weird. It took 10 rounds for the 'prolate' script to
converge:
RelaxWarning: The XH bond vector for residue ':[EMAIL PROTECTED]' is of zero
length.
Extracted H-H vectors for ':[EMAIL PROTECTED]'.
Quoting Edward d'Auvergne [EMAIL PROTECTED]:
Ok, one bug is because
text file and
display the output in the terminal at the same time as well (maybe I'm
getting
too ambitious there..)?
Also, I do get the same output for 'ellipsoid' as well, as Seb asked.
Yours,
Tyler
Quoting Edward d'Auvergne [EMAIL PROTECTED]:
Hi,
This issue looks like a problem
-packages/minfx/base_classes.py,
line 339, in backline
self.alpha, fc = backtrack(self.func, self.args, self.xk, self.fk,
self.dfk,
self.pk, a_init=self.a0)
TypeError: 'NoneType' object is not iterable
Quoting Edward d'Auvergne [EMAIL PROTECTED]:
:S It overwrites a pre-existing file
, the full_analysis.py
script needs checking).
Cheers,
Edward
On Thu, Oct 23, 2008 at 4:48 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
The aic results file should be attached to the bug report. It looks like it's
there when I check it.
Quoting Edward d'Auvergne [EMAIL PROTECTED]:
Hi,
I've tried
:59 AM, Chris MacRaild [EMAIL PROTECTED] wrote:
On Thu, Oct 16, 2008 at 8:07 PM, Edward d'Auvergne
[EMAIL PROTECTED] wrote:
On Thu, Oct 16, 2008 at 7:02 AM, Chris MacRaild [EMAIL PROTECTED] wrote:
On Thu, Oct 16, 2008 at 3:11 PM, Sébastien Morin
[EMAIL PROTECTED] wrote:
Hi,
I have a general
On Wed, Oct 15, 2008 at 3:53 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
Hi,
I'll try to dig up those references. The other thing I find confusing is
that
some groups use the curve fit error for the parameters. So, the errors in R1
and R2 per residue are actually from the nonlinear curve
On Wed, Oct 15, 2008 at 4:56 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
Hey,
Farrow et al. (1994) Biochemistry, 33: 5984-6003 also draw a similar
conclusion
(paragraph starting at bottom left of p. 5988) and apply the RMS value of
the
noise as an estimate of the standard deviation of peak
On Wed, Oct 8, 2008 at 6:07 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
To get past this requirement I added or subtracted the last digit for
each peak
height for the data set to make a pseudo-replicate data set (2 identical files
will still get a 0 value division problem). The program goes
On Wed, Oct 8, 2008 at 7:02 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
Yes, the standard deviation of the steady-state NOEs match to 15 decimal
places
(ignoring the occasional rounding error in excel).
The svn command definitely worked, and picked up a bunch of files, but the
updated software
out of range
Quoting Edward d'Auvergne [EMAIL PROTECTED]:
Hi,
This is definitely a bug! If you could file a bug report
(https://gna.org/bugs/?func=additemgroup=relax), that would be much
appreciated. If you would like a description of how this is done,
please see section 3.3 of the relax
On Tue, Oct 7, 2008 at 7:48 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
Hi Edward,
Thanks for your continued patience.
That's okay, it's not a problem.
Okay, it seems that aligning the data height column by the left most digit
rather than the right most digit is not tolerated. Now the script
access to this fixed code.
Regards,
Edward
On Tue, Oct 7, 2008 at 9:29 PM, Edward d'Auvergne
[EMAIL PROTECTED] wrote:
On Tue, Oct 7, 2008 at 7:48 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
Hi Edward,
Thanks for your continued patience.
That's okay, it's not a problem.
Okay, it seems
On Thu, Oct 2, 2008 at 6:11 PM, Tyler Reddy [EMAIL PROTECTED] wrote:
I'm looking at the possibility that it is a problem with the python header
file
as suggested in the first solution message. I haven't found a distribution
of
the 'Python Development Files' that are mentioned that I can open
Hi,
Welcome to the relax users mailing list. I've seen this problem
before but can't remember exactly what is causing it. We should be
able to fix this though. I'm pretty sure that the suggestions on the
internet of using distutils for this are out of place. I use
distutils for the minfx
Hi,
I forgot to ask but if you could report if this was successful, or the
steps you took to fix this, that would be much appreciated as the
acheived message will help other users in the future.
Regards,
Edward
On Thu, Oct 2, 2008 at 10:19 AM, Edward d'Auvergne [EMAIL PROTECTED] wrote:
Hi
Hi Jack,
Thank you for adding relax to Fink
(http://pdb.finkproject.org/pdb/browse.php?name=relax). I've always
wanted to have pre-compiled binaries for OS X however I haven't had
access to the hardware to do this. I did add scons code for the
compilation of the C modules specific to OS X but
Hi,
I haven't seen that error message in a long time. Which version of
Python are you using? The only thing I can think of at the moment is
that this is a very old version which doesn't include the profile
module. This non-essential import could be made optional in relax,
but I have a feeling
Hi,
I'm not exactly sure what the 'dist.py' and 'dist-core.py' scripts are
trying to do, but relax is capable of representing bond vectors in a
number of ways. For example the sample script 'angles.py' can be used
to extract the angle between the XH vector and the unique axis of a
prolate or
more information out of
their system...
Thanks a lot once more !
Cheers !
Sébastien
P.S. Again, sorry for the length of the mail...
Edward d'Auvergne wrote:
Hi,
I've been thinking about this one for a while, but I don't know
exactly what the problem is. I have a few ideas
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