Thanks Sam.
I did ignore the error message and run the model free analysis and I got the
following errors:
Traceback (most recent call last):
File "/usr/local/relax/gui/analyses/execute.py", line 87, in run
self.run_analysis()
File "/usr/local/relax/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/auto_analyses/dauvergne_protocol.py", line 241, in
__init__
self.execute()
File "/usr/local/relax/auto_analyses/dauvergne_protocol.py", line 604, in
execute
self.interpreter.results.read(file='results',
dir=self.results_dir+'local_tm'+sep+'aic')
File "/usr/local/relax/prompt/uf_objects.py", line 221, in __call__
self._backend(*new_args, **uf_kargs)
File "/usr/local/relax/generic_fns/results.py", line 96, in read
ds.from_xml(file, dir=dirname(file_path), pipe_to=pipes.cdp_name())
File "/usr/local/relax/data/__init__.py", line 452, in from_xml
self[pipe_to].from_xml(pipe_nodes[0], dir=dir, file_version=file_version)
File "/usr/local/relax/data/pipe_container.py", line 255, in from_xml
self.structure.from_xml(str_nodes[0], dir=dir, id=parser,
file_version=file_version)
File "/usr/local/relax/generic_fns/structure/api_base.py", line 296, in
from_xml
self.structural_data.from_xml(model_nodes, id=id,
file_version=file_version)
File "/usr/local/relax/generic_fns/structure/api_base.py", line 1223, in
from_xml
self[-1].mol.from_xml(mol_nodes, id=id, file_version=file_version)
File "/usr/local/relax/generic_fns/structure/api_base.py", line 1441, in
from_xml
self[-1].from_xml(mol_node, file_version=file_version)
File "/usr/local/relax/generic_fns/structure/internal.py", line 2607, in
from_xml
xml_to_object(mol_node, self, file_version=file_version)
File "/usr/local/relax/data/relax_xml.py", line 277, in xml_to_object
value[i] = packBytesAsPyFloat(ieee_value[i])
File "/usr/local/relax/float.py", line 200, in packBytesAsPyFloat
doubleString=pack('8B',*bytes)
error: pack expected 8 items for packing (got 571)
Can anyone suggest what is the problem ?
Thanks a lot.
Ashish
________________________________
From: Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx>
Sent: Tuesday, February 21, 2017 4:17:08 PM
To: Ashish Sethi
Subject: Re: Error in setting up model free analysis
Hi Ashish,
I am not part of Edwards team, just a normal relax user. The error is simply
informing you there is no information for hydrogen spins (which there
shouldn't be), so its fine. It will exclude the hydrogen spin dynamics in its
computations, so there is nothing to worry about in regards to the error
(from my experience).
Sincerely,
Sam
On Mon, Feb 20, 2017 at 8:40 PM, Ashish Sethi
<ashish.sethi@xxxxxxxxxxxxxx<mailto:ashish.sethi@xxxxxxxxxxxxxx>> wrote:
Dear Edward,
Hope this email finds you well !!!
I am a beginner in the field of protein dynamics and I wish to do a model
free analysis for my protein which is about 72 residues (8.5 kDa). I have
calculated the standard R1, R2 and NOE (steady state) parameters and also did
the reduced spectral density mapping.
My question is related to dipolar relaxation settings while setting up the
model free analysis, so all my files (R1, R2 and NOE) only have 15N spin
information and if I follow the instructions given in the manual and select
"@N" and "@H"-- i get an error saying no information available for H spin
which is obvious. In this case what am I supposed to select ? Apologies for
my naivety.
Thanks
Ashish
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Re: Error in setting up model free analysis