Hi Stefano,
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 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. You however say that you cannot see any spins loaded.
Did you perform the steps exactly as I have listed above? If not,
what steps did you perform? Do you see any warnings or error
messages?
Cheers,
Edward
On 10 February 2014 10:49, Edward d Auvergne
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Update of sr #3110 (project relax):
Privacy: Private => Public
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Re: [sr #3110] Spins from PDB