Dear users,
I have recently carried out two seperate model-free analysis on a ~5 kDa
protein with relaxation data measured at 600, 800 and 900 MHz. I used the fully
automated analysis scripts for the analysis.
In the first run, I used the lowest energy structure from my 15 structure
ensemble.
Dear Vineet,
The problem you are seeing is a simple bug - Dpar is simply being
displayed twice. Could you please create a bug report for this?
Simply fill out the details at
https://gna.org/bugs/?func=additemgroup=relax. I will then fix the
problem and the solution will be available with the
Hi Ed,
Thanks for this. I will create the report asap.
Also, as mentioned in the earlier email, in my protein structure, I see a high
backbone RMSD for first 5 residues and last 2 residues. When I use just the low
energy structure I get one set of diffusion tensor data, which is quite
Hi Ed,
I had a look at the log files. I reckon all the models within my ensemble are
added in. Unless I've understood the logs all wrong. Following is the excerpt
from the logs related to the PDB parser..
relax structure.read_pdb(file=relax_input.pdb', dir=None, read_mol=None,
Hi,
Alternatively, if your work email is going to reveal people's private
email addresses (the address behind my edward att nmr-relax dott com
email alias) as clear text on public mailings lists, do you have
another email system you can use? The messages are archived
permanently at
Hi Ed,
Model free analysis does complete after taking in all those structures. Every
single individual diffusion tensor model converges. The diffusion tensor data
in the earlier email was obtained after model free analysis was completed using
all 15 structures. I'll create a bug report
Hi Vineet,
For the bug report, it would be great if you could create a truncated
data set and attach it to the report. If you could truncate the PDB
files to 2-3 residues, and the relaxation data files to those same 2-3
residues, testing that the problem is still there, I'll then be able
to
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