Hello, following the advice from Edward, whom I thank for his patience, I would like to start here by asking whether anyone has encountered the following error when trying to import output files from Bruker Dynamics Center into Relax. I will try to follow Edward’s advice for the bug report.
[cid:image001.png@01D4BD44.72D25600]
Thanks for your help,
Stefano
On 05 Feb 2019, at 11:21, Edward d'Auvergne <ed...@nm...<mailto:ed...@nm...>> wrote:
Hi Stefano,
I would like to shift our private conversation to here on the public
relax users mailing list. Note that you should not attach files for
messages here (they will be automatically stripped from emails).
For your truncated data, I would recommend submitting a bug report at:
https://sourceforge.net/p/nmr-relax/tickets/
You can attached your truncated data there (abstracting away anything
you'd like to keep private). I would also suggest truncating your PDB
file to also only have the two residues remaining in your Bruker
Dynamics Center file. Just test the new data to see if there is still
an error. It would also be good if you could copy and paste the full
output in the relax GUI log window.
With the truncated data and log output, I can quickly generate a new
relax system test. I can then use that to debug the issue you are
seeing. Usually if I can create a test that catches the issue, I can
fix the bug within 5 to 10 minutes.
My guess is that Bruker have updated their software and I simply need
to modify the Bruker Dynamics Center support in relax to handle the
new format. Note that there is partial support for different Bruker
DC versions, in that very old versions are not supported:
https://sourceforge.net/p/nmr-relax/code/ci/345a3d/tree/lib/software/bruker_dc.py#l146
Regards,
Edward
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