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Hello Jakob--
> I define the HBDB parameters using the xplor.command('...') syntax
> after reading psf and pdb-coordinates.
> I add the HBDB potential to the potentail list by the command:
> potList.append(XplorPot('HBDB'))
>
> However, the HBDB potential doesn't find any hbonds in freemode
> "# of active HBDB terms : 0"
> (xplor-nih 2.18).
>
> What is wrong, is it possible to use HBDB from the python interface?
>
Using the HBDB term from the Python interface is quite possible. It
sounds like the problem is in the segid handling. Really the code should
be reworked to do it properly. I take it you have a protein with a segid
of ' A' or 'A '. Can you just clear the segid field?
best regards--
Charles
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