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 :)
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