Hello Qinhong--
>
> Thanks. Xplor language is really hard for me. My goal is using all my
> available
> chemical shift in structure refinement, not only proton. So it seems instead
> of
> XplorPot term proton chemical shift restraints 'PROT', Sparta can satisfy my
> requirement better. Besides, TALOS format is easy to get.
> I tried adding Sparta into my potList to do refinement, by adding this into my
> python script:
>
> from spartaPotTools import create_SpartaPot
> sparta=create_SpartaPot('sparta',restraints="test.talos",format="TALOS")
> potList.append(sparta)
>
> There's no error in output file. However, the .stats file below shows Sparta
> potential energy term is 0. Is that because Sparta term is not yet supported?
I'd guess that no restraints were read. create_SpartaPot should tell
you how many restraints were read, and there should be info on each
chemical shift restraint listed in the .viols files.
best regards--
Charles
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