mailRE: value.display()


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Posted by Tiago Pais on August 12, 2009 - 12:53:
Dear Edward,
I have some questions relating the functioning of relax 1.3.3:
1- When I initiate the relax command a get an error message about a missing
DLL (python25.dll). However the program manages to start anf get to the
command line. Is this DLL related to the "curve fitting" module? Does the
relax program run properly without this DLL
2- The "relax --test-suite" routine seems to stall after a while. I have
three "F" in the middle of the dotted line. Can this be related to the DLL
3- The "TAB" button is not working within relax

And now some question related to my specific case:
1- What is the nomenclature to describe the C nucleus in a methyl group? I
will have to assume an effective CH vector and not three different ones for
each proton; how do I tell this to the program?
2- What is the format for the input R1,R2, and NOE data? Couldn'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-bounces@xxxxxxx [mailto:relax-users-bounces@xxxxxxx] On
Behalf Of Edward d'Auvergne
Sent: quarta-feira, 12 de Agosto de 2009 10:56
To: Vic Vostr
Cc: relax-users@xxxxxxx
Subject: Re: value.display()

Dear Vic,

Welcome to the relax mailing lists :)  What you have encountered here
is an old bug relating to ancient relax-1.2 code.  This has now been
fixed in the repository which, if you have subversion installed, can
be retrieved by following the instructions in
https://mail.gna.org/public/relax-users/2009-02/msg00020.html.  I will
soon be releasing relax-1.3.4 if you would like to wait a week or so,
otherwise you can use the repository code.  Note that this bug was
already encountered by Raj Jose in the parent message to the above
link (at https://mail.gna.org/public/relax-users/2009-02/msg00018.html).
 I hope this helps.

Regards,

Edward



On Sun, Aug 9, 2009 at 6:47 AM, Vic Vostr<vvostri@xxxxxxxxx> wrote:
Hi,

I am trying to set-up the output of model-free parameters as described
earlier (https://mail.gna.org/public/relax-users/2009-02/msg00012.html),
and I seem to run into the same issue as Prem
(http://www.mail-archive.com/relax-users@xxxxxxx/msg00606.html). I
have performed the update
(http://www.mail-archive.com/relax-users@xxxxxxx/msg00608.html), but
it did not fix it.

Script 1:
 pipe.create('test', 'mf')
 results.read(file='tm1/results')
 value.display('S2')

Relax output 1:
 pipe.create(pipe_name='my data', pipe_type='mf')
 Opening the file 'tm1/results.bz2' for reading.
 value.display(run='S2', param=None)
 RelaxError: The parameter argument None must be a string.

Script 2:
 pipe.create('my data', 'mf')
 results.read(file='tm1/results')
 value.display(run='tm1', param='S2')

Relax output 2:
 pipe.create(pipe_name='my data', pipe_type='mf')
 Opening the file 'tm1/results.bz2' for reading.
 value.display(run='tm1', param='S2')
 Traceback (most recent call last):
  File "relax", line 422, in <module>
    Relax()
  File "relax", line 131, in __init__
    self.interpreter.run(self.script_file)
  File "/home/vvostri/Desktop/relax-1.3.3/prompt/interpreter.py",
line 270, in run
    return run_script(intro=self.__intro_string, local=self.local,
script_file=script_file, quit=self.__quit_flag,
show_script=self.__show_script,
raise_relax_error=self.__raise_relax_error)
  File "/home/vvostri/Desktop/relax-1.3.3/prompt/interpreter.py",
line 531, in run_script
    return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
  File "/home/vvostri/Desktop/relax-1.3.3/prompt/interpreter.py",
line 427, in interact_script
    execfile(script_file, local)
  File "model-free.py", line 94, in <module>
    value.display(run='tm1', param='S2')
  File "/home/vvostri/Desktop/relax-1.3.3/prompt/value.py", line
152, in display
    self.__relax__.generic.value.display(run=run, param=param)
 TypeError: display() got an unexpected keyword argument 'run'

Thank you in advance!

Vitaly

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