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 <[EMAIL PROTECTED]> 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 > [email protected] > > 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 > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] 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
