Unfortunately I am trying to do this with a prePot object. Is there an easy
way to get similar output for the pre class?
On Mon, 23 Oct 2006 [EMAIL PROTECTED] wrote:
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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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==========================================================
R. Bryn Fenwick Department of Biochemistry,
[EMAIL PROTECTED] University of Cambridge,
[EMAIL PROTECTED] 80 Tennis Court Road,
Tel: +44 1223 766018 Old Addenbrookes Site,
Fax: +44 1223 766002 Cambridge, CB2 1GA, UK.
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