Hi Edward,
Thank you very much. I am a little bit confused, the pdb file
2QFK_MONOMERHabc5.pdb have been added H by software reduce, I also
check the first residue GLY, which has 5 H atoms. Perhaps I
misunderstand your meanings, do you mean the 2QFK_MONOMERHabc5.pdb
file (I have submitted before)? Thank you.
Regards,
Mengjun
Quoting Edward d'Auvergne <[email protected]>:
Hi Mengjun,
This bug has now been fixed. The problem was with the very first
residue, as the PDB file has no H atom for it. Normally this is not
an issue because the first atom should normally not be visible in a
nitrogen HSQC. So there are 3 ways of fixing the problem. You could
wait until a new version of relax is released, though this could take
a while as the next version will be the first of a brand new 3.0
release series. Alternatively you can check out a copy of the relax
trunk as described in the docs
(http://www.nmr-relax.com/manual/Latest_sources_relax_repositories.html).
Or thirdly, you can deselect your first residue.
Regards,
Edward
On 29 March 2013 18:03, <[email protected]> wrote:
Hi Edward,
Thank you so much for your suggestions. I will read it carefully.
Regards,
Mengjun
Quoting Edward d'Auvergne <[email protected]>:
Hi,
The best way would be to read the manual. Sebastien Morin has written
a nice guide with step-by-step instructions on what you need to do in
the manual. You will need to read this as there are some manual steps
which relax does not automate for you which you should be aware of.
You should also read Sebastien's paper on the subject
(http://dx.doi.org/10.1007/s10858-009-9381-4).
Regards,
Edward
On 28 March 2013 21:10, <[email protected]> wrote:
Hi Edward,
Thanks. I have submitted the pdb file. I understand that the consistency
test is for 2 field nmr data, for example, by comparing the J(0) at 500
MHz
and J(0) at 700 MHz, so I loaded the two field data when using
consistency_tests.py. I am confused that if one field data is loaded in
consistency_tests.py, how can consistency_tests.py check the consistency
between NMR data at 500 MHz and NMR data at 700 MHz? Thank you.
With best regards,
Mengjun
Quoting Edward d'Auvergne <[email protected]>:
Hi again,
I was wondering if you have read the consistency testing part of the
relax manual written by Sebastien Morin (the person who implemented
this analysis). Specifically this section:
http://www.nmr-relax.com/manual/Consistency_testing_script_mode_relaxation_data_lo.html
Note the text, "For this analysis, only data for a single field
strength can be loaded". This may possibly be the source of some of
your problems.
Regards,
Edward
On 28 March 2013 20:02, Edward d'Auvergne <[email protected]> wrote:
Hi Mengjun,
Could you also attach the PDB file? I need it to be able to run the
script and replicate the problem.
Cheers,
Edward
On 28 March 2013 16:39, anonymous <[email protected]>
wrote:
Additional Item Attachment, bug #20674 (project relax):
File name: T1 dhp 700.txt Size:74 KB
File name: T2 dhp 500.txt Size:67 KB
File name: T2 dhp 700.txt Size:68 KB
File name: logconsistency Size:371 KB
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