Hello Karuna--

> 
> I am trying to refine a cyana output structure against RDC and NOE data using
> xplor. This cyana pdb has already been converted into xplor format using 
> pdbstat.
> I am using modified version of refine.py script that has floating Da and Rh 
> while
> running the structure calculation.
> 

...
>     pot = create_NOEPot(name,file)
> 
>   File "/Users/Shared/nmrware/xplor-nih-2.48/python/noePotTools.py", line 57, 
> in
> create_NOEPot
> 
>     noe.addRestraints(open(file).read())
> 
>   File "/Users/Shared/nmrware/xplor-nih-2.48/python/wrappers/noePot.py", line
> 365, in addRestraints
> 
>     return _noePot.NOEPot_addRestraints(self, *args, **kwargs)
> 
> SystemError: xplor-nih error: error reading restraint: selection string  
> (resid
> 163 and name O    ) selects no atoms
> 

The problem seems to be that you have a distance restraint involving a
non-existent atom (resid 163 and name O).

best regards--
Charles

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