Done! See https://mail.gna.org/public/relax-commits/2008-01/msg00376.html.
The current version of the script in the 1.2 line will now properly
handle not having a PDB file if you set the value of PDB_FILE to None.
Nevertheless, I would be very careful with the conclusions. If there
are regions appearing to exhibit chemical exchange or slow nanosecond
motions - check very carefully that these motions are also present in
the local tm model MI results. If not, there is a good chance that
you have artificial motions!
Regards,
Edward
On Jan 10, 2008 8:20 PM, Sebastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
Hi,
I am now helping someone to start with relax and got into a question
about the full_analysis.py script.
In the full_analysis.py script, the following code appears at line 550 :
# Load the PDB file.
if not local_tm:
pdb(name, PDB_FILE)
For a local tm, no PDB file is needed. That's logic. However, I would
have thought that no pdb file would also be needed for an isotropic
diffusion tensor (sphere).
Am I right ?
Can someone with no 3D structure use the full_analysis.py script to
optimize an isotropic diffusion tensor ?
Thanks !
Sébastien :)
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-users mailing list
relax-users@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-users
Re: The use of a pdb with the sphere diffusion tensor