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Hi Bryn--
>
> Can anyone help me with this error. I am not sure how to get restraint
> information out of xplor using the showRestraints call.
>
> Bryn
>
> Traceback (most recent call last):
> File "<string>", line 1, in ?
> File "keeper.py", line 207, in ?
> print c411.showRestraints(violated)
> NameError: name 'violated' is not defined
> PyInterp::command: error executing: >execfile('keeper.py')<
>
assuming c411 represents an NOE, JCoupling or dipolar coupling potential
term, the best way to print out restraint info in recent versions of
Xplor-NIH would be:
c411.setShowAllRestraints(True)
print c411.showViolations()
regards--
Charles
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