URL:
<http://gna.org/bugs/?20479>
Summary: Model-free analysis failed after creating local tm
Project: relax
Submitted by: stacy
Submitted on: Mon Feb 4 15:25:48 2013
Category: None
Severity: 5 - Blocker
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: 2.2.1
Operating System: GNU/Linux
_______________________________________________________
Details:
I was trying to run model-free analysis of relaxation data: 4 files (R1, R2,
NOE for 800 MHz and R2 for 600MHz). First I have chosen local tm model and
executed relax. It has created local_tm directory with aic, tm0-tm9 folders
with result.bz2 in every folder. Then as I don't have pdb file with structure,
I have chosen sphere model and it returned error:
relax> results.write(file='results', dir='/home/stacy/PrtG/local_tm/aic',
compress_type=1, force=True)
Opening the file '/home/stacy/PrtG/local_tm/aic/results.bz2' for writing.
Exception raised in thread.
Traceback (most recent call last):
File "/usr/local/relax-2.2.1/gui/analyses/execute.py", line 87, in run
self.run_analysis()
File "/usr/local/relax-2.2.1/gui/analyses/auto_model_free.py", line 808, in
run_analysis
dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name,
pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir,
diff_model=self.data.global_models, mf_models=self.data.mf_models,
local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc,
diff_tensor_grid_inc=self.data.diff_tensor_grid_inc,
mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter,
conv_loop=self.data.conv_loop)
File "/usr/local/relax-2.2.1/auto_analyses/dauvergne_protocol.py", line 193,
in __init__
switch(self.pipe_name)
File "/usr/local/relax-2.2.1/generic_fns/pipes.py", line 469, in switch
test(pipe_name)
File "/usr/local/relax-2.2.1/generic_fns/pipes.py", line 503, in test
raise RelaxNoPipeError(pipe_name)
RelaxNoPipeError: RelaxError: The data pipe 'final' has not been created yet.
P.S. The main steps:
I have tried calculate rotational correlation time and I failed. First of all
to describe main steps:
1)load sequence from NOE data file
2)check spin.name, spin.element, spin.isotope
3)load relaxation data: 4 files (R1, R2, NOE for 800 MHz and R2 for 600MHz)
3)sequence.attach_protons()
4)dipolar relaxation (as I don't have pdb file, I have skipped first part and
applyed only magnetic dipolar relaxation setup)
5)csa relaxation
6)protocol model local tm
7) execute relax
8)protocol sphere
9)execute relax
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Mon Feb 4 15:25:48 2013 Name: NoeRelN Size: 2kB By: stacy
<http://gna.org/bugs/download.php?file_id=17123>
-------------------------------------------------------
Date: Mon Feb 4 15:25:48 2013 Name: R2604 Size: 2kB By: stacy
<http://gna.org/bugs/download.php?file_id=17124>
-------------------------------------------------------
Date: Mon Feb 4 15:25:48 2013 Name: R1850 Size: 2kB By: stacy
<http://gna.org/bugs/download.php?file_id=17125>
-------------------------------------------------------
Date: Mon Feb 4 15:25:48 2013 Name: R2863 Size: 2kB By: stacy
<http://gna.org/bugs/download.php?file_id=17126>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?20479>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
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
