Hi Edward and thanks for your message. Yes, I am looking forward to mastering
your software. I hope I do not bug you with too many questions, and that the
learning curve will be steep.
See below:
Welcome to the relax mailing lists! I have just tried out your PDB
file attached to the bug report. I launched the relax in GUI mode and
performed the following steps:
- Selected a model-free analysis from the new analysis wizard (this is
the special dauvergne_protocol auto-analysis which is worth reading
about to understand what is happening).
- Clicked on the 'Spin editor' button.
- Clicked on the 'Load spins' button in the spin editor window.
- Selected the option 'From a new PDB file' in the spin loading wizard.
- Loaded your PDB file.
- Set the spin ID to '@N' and '@H' to load the 15N and 1H spins of the
backbone. '@NE1' and '@HE1' spins should probably be loaded as well.
- Click on 'Finish'.
I think I did all the steps that you describe here below yesterday, except
fot the only fact that I changed the string about the molecule name, which
seems unlikely to be the cause of my failure.
Now, and I did it several times, I do not have any problems in reading the
spins for the PDB file. OK then!
I can now see the 15N and 1H spins for two molecules. To perform a
model-free analysis, I could simply delete one of the two molecules
and continue.
question arises: the protein is a homodimer in solution, and I do not think I
should delete any spin nor molecule. Am I correct? If I do, I start from a
wrong geometric model, no?
Stefano
Re: [sr #3110] Spins from PDB