ot; error when I run this version.
Cheers
TP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: segunda-feira, 11 de Abril de 2011 11:41
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: Grid search does not appear
ver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quinta-feira, 7 de Abril de 2011 12:15
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: How to set S2f to 0.111? - SOLVED with 1.3.8
Ah, right. I did fix that bug! I thought so :) Ok, if you have any
problems, don't hesitate
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf 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 sp
It's relax 1.3.4
Actually the command "$ relax --info" is not producing any info.
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quinta-feira, 7 de Abril de 2011 10:46
To: Tiago Pais
Cc:
s
Tiago
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 6 de Abril de 2011 18:05
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: How to set S2f to 0.111?
Hi,
These match the parameters as liste
Good!
I'll let you know how it worked out.
Thank you.
Regards
Tiago
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 6 de Abril de 2011 18:05
To: Tiago Pais
Cc: relax-users@gna.org
Subjec
...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 6 de Abril de 2011 17:42
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: How to set S2f to 0.111?
Hi,
That is roughly correct. Just set the lower and upper bound to 0.111
and set the number of increments for that parameter to 1.
n the interval of possible results,
correct? If so, what is the sequence for the parameters in the array?
TP
-Original Message-
From: Edward d'Auvergne [mailto:edward.dauver...@gmail.com]
Sent: quarta-feira, 6 de Abril de 2011 17:13
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re:
Hi,
I would like to make an analysis of side-chain relaxation data with the S2f
parameter (in model 5) set to 0.111.
Is it possible to do this with RELAX? How?
Thanks in advance.
Cheers
Tiago P
**
Tiago Pais, PhD. student
Cell Physiology &
[mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: sexta-feira, 28 de Janeiro de 2011 17:24
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: Segmentation Fault on Relax - 1.3.7
Hi,
Strangely your system seems to be the less precise of all the machines
with test results ret
.
....
om: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 26 de Janeiro de 2011 19:56
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: Segmentation Fault on Relax - 1.3.7
Hi,
This is strange! Do the source code versions work ok? It could be
the
Dear all,
Surely this should be a very silly mistake of mine but I can not manage to
put to work any of the relax versions above 1.3.6.
I just get the message "Segmentation fault" when I type "relax"
Do I need to uninstall the previous 1.3.4 version?
For now I would like to keep the old one since
Perfect!
It's already working.
Thanks once again for your help!
Cheers
Tiago P
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: terça-feira, 19 de Janeiro de 2010 10:28
To: Tiago Pais
Cc: relax-use
Message-
From: Tiago Pais [mailto:tp...@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_mu
Does anyone have an idea what the problem can be?
I'll make a bug report just to save time if it is the case.
Cheers
Tiago Pais
-Original Message-
From: relax-users-boun...@gna.org [mailto:relax-users-boun...@gna.org] On
Behalf Of Tiago Pais
Sent: segunda-feira, 18 de Janeiro de 2010
7;)
structure.vectors(spin_id='@CB1', attached='H*', ave=False)
."
I get information that the spins are all extracted and get S2 values for all
of them.
Cheers
TiagoP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gma
16:17
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: Extracting vectors from multiple spins
Hi,
This is strange, it should work! Could you file a bug report for
this? If you include data for one or two spins that can reproduce
this, and the script that was used, I should be able to sort out
Well, the spins of interest are also present in the pdb file previously
loaded.
-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@gn
Hi Edward,
Received the bug report saying it was fixed but could quite understand what
is the solution.
Regards.
TiagoP
-Original Message-
> From: Edward d Auvergne [mailto:no-reply.invalid-addr...@gna.org]
> Sent: segunda-feira, 4 de Janeiro de 2010 16:35
> To: Edward d Auverg
ues and then it stops:
>The attached atom is not a proton.
>
>RelaxError: No vectors could be extracted.
Cheers
TiagoP
-Original 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
auver...@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/relax-
imilar problem?
I tested each model individually with the problem showing up for models tm4
to tm8. The other models work
Cheers
TiagoP
**
Tiago Pais, PhD. student
Cell Physiology & NMR
Instituto de Tecnologia Química e Biológica-Oeiras
_
done.
If anyone has any idea, please reply.
Cheers
Tiago P
**
Tiago Pais, PhD. student
Cell Physiology & NMR
Instituto de Tecnologia Química e Biológica-Oeiras
___
relax (http://nmr-relax.com)
This is
d'Auvergne
Sent: terça-feira, 15 de Dezembro de 2009 9:22
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: AIC to select diffusion model
Hi,
No, you have to do the analysis for each diffusion tensor separately.
This part of the n*l^m number of spaces/universes (where n = num diff
models
18:47
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: AIC to select diffusion model
2009/12/14 Tiago Pais :
> I am not really sure I am following you.
> Let's see and please correct me if and where I may be mistaken. To
optimize
> de diffusion tensor model I fix the modelfree mod
h the criterion of reduced mobility?
Sorry for all the trouble before you leave for holydays.
Regards
Tiago P
-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 17:08
To: Tia
: 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 to make this totally obvious yet.
Hello everyone,
Can anyone help me on how to use AIC to select between diffusion models
instead of model free models (modelsel.py). Couldn't find any sample script
that would give me a clue on this.
Best regards
TiagoP
******
Tiago Pais, PhD. student
From: Ed Olejniczak [mailto:edward.t.olejnic...@vanderbilt.edu]
Sent: domingo, 13 de Dezembro de 2009 20:20
To: Tiago Pais
Subject: Re: Now Member of list: Fwd: Displaying output from Model free
analysis
Could you be more explicit. I am in the directory that I ran my model free
analysis. it created a d
Hi Ed,
The xml file is a storage file.
To visualize the results of the analysis you can use for example the
[value.write( )] function. Look for details in the help manual. I find it
very usefull sometimes to plot the results in grace format (see sample
script grace.py)
I am also a beginner in th
Hi Edward,
Any luck with my reported bugs?
Cheers,
TiagoP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: sábado, 28 de Novembro de 2009 20:34
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: MF_Multi
CT lines in the PDB file.
I'm sorry for all the "bugging"!
Best regards
Tiago P
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: sexta-feira, 4 de Dezembro de 2009 16:13
To: Tiago Pais
Cc: re
Hi Michael,
As I said before, adding 'parser='scientific' solved this problem for me. I
had exactly the same error as the one you report. As Edward said, by
default, structure.read_pdb uses the internal reader so try to specify
explicitly the 'scientific' reader.
Cheers
.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: sexta-feira, 4 de Dezembro de 2009 15:02
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re: MF_Multimodel
Hi,
Do you know if this is a corrupted PDB issue as well? I don't really
have the time, let alo
>> The internal reader accepts
>> these CONECT records perfectly. An easy test is to read in the PDB
>> file with CONECT records with the internal reader and then write it
>> out again. They should be preserved. If not, this is a bug which can
>> be reported at https://gna.org/bugs/?func=addit
This is just to tell you that I am actually measuring amide protons (NH).
Sorry for the mistake but I was reading/writing the email in a hurry.
I still didn't have the time to work further on this but meanwhile I was
thinking and remembered that Tensor2 allows saving the PDB file in the
diffusion f
annoying things!
If anyone could help I would be most greatfull.
Tiago Pais
___
relax (http://nmr-relax.com)
This is the relax-users mailing list
relax-users@gna.org
To unsubscribe from this list, get a password
reminder, or change your subscri
e data acquired only at one field strength. Is
there another sample script more suitable?
Best regards
TiagoP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 28 de Outubro de 2009 12:50
To: Tiago
Sorry, forgot to attach the script.
TP
-Original Message-
From: Tiago Pais [mailto:tp...@itqb.unl.pt]
Sent: terça-feira, 27 de Outubro de 2009 12:17
To: 'Edward d'Auvergne'
Cc: 'Sébastien Morin'; 'Boaz Shapira'; 'relax-users@gna.org'
Sub
tly from the link you provided)
Regards,
TiagoP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: terça-feira, 27 de Outubro de 2009 10:02
To: Tiago Pais
Cc: Sébastien Morin; Boaz Shapira; relax-users@gna.o
Hi Michael,
Could you send me your script for final_data_extraction.py since I didnt
get it attached.
Thank you
TiagoP
-Original Message-
From: relax-users-boun...@gna.org [mailto:relax-users-boun...@gna.org] On
Behalf Of Edward d'Auvergne
Sent: segunda-feira, 5 de Outubro de 2009 10:52
T
can help me and avoid that I loose time with this probably easy to
solve error, please do.
Thanks
Tiago P
-Original Message-
From: Sébastien Morin [mailto:sebastien.mori...@ulaval.ca]
Sent: quarta-feira, 21 de Outubro de 2009 19:46
To: Tiago Pais
Cc: 'Edward d'Auvergne';
Ok, managed to solve this already.
Cheers
Tiago
-Original Message-
From: relax-users-boun...@gna.org [mailto:relax-users-boun...@gna.org] On
Behalf Of Tiago Pais
Sent: quarta-feira, 21 de Outubro de 2009 15:53
To: 'Edward d'Auvergne'; 'Boaz Shapira'
Cc: relax-use
Dear all,
I am using 15N relaxation data previously analyzed to test some of the
scripts available in Relax to make sure that I am using it correctly.
However, I get the following error message when running the sample script
full_analysis.py: "List Index out of Range"
Below is "print screen" where
will look at the paper of Schurr to see if I can get a better idea.
I have already implemented Kay's pulse sequences to minimize the
contribution of cross relaxation but now I am a bit stuck with this part of
the analysis.
Cheers
Tiago Pais
PS: The dll problem disappeared after I installed Rel
the absence of relaxation
interference, is it feasible to use RELAX to fit the modelfree models?
Regards
Tiago Pais
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 12 de Agosto de 2009 15:
it install the missing package.
This should solve the problem!
Cheers
Michael"
Best regards
Tiago P
-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 18:51
To: T
: 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 version issue, but I need a more information
dule named profile
tp...@tpais-desktop:~$
Can you help?
Thanks
TiagoP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 12 de Agosto de 2009 15:07
To: Tiago Pais
Cc: Vic Vostr; relax-users@gna.
't seem to
find it written in the manual.
Sorry for all these questions but I am just starting dealing with this
program.
Best Regards
Tiago Pais
-Original Message-
From: relax-users-boun...@gna.org [mailto:relax-users-boun...@gna.org] On
Behalf Of Edward d'Auvergne
Sent: quarta-
models to the 13C relaxation T1,T2, NOE
data sets.
Best regards
TiagoP
-Original Message-
From: edward.dauver...@gmail.com [mailto:edward.dauver...@gmail.com] On
Behalf Of Edward d'Auvergne
Sent: quinta-feira, 6 de Agosto de 2009 20:18
To: Tiago Pais
Cc: relax-users@gna.org
Subject: Re
Hello everyone!
Is it possible to use Relax with data sets obtained from 13C relaxation
experiments?
Best regards
Tiago Pais
**
Tiago Pais, PhD. student
Cell Physiology & NMR
Instituto de Tecnologia Química e Biológica-Oe
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