Hello Mehdi--
>
> I ran a structure calculation with PASD/MARVIN module, at the end of pass2 ,
> when I executed the summarize_pass2.tcl script, I faced some errors:
> On the terminal there is error message:
> Traceback (most recent call last):
> File "<string>", line 1, in <module>
> File "/usr/local/xplor-nih-2.30/python/selectTools.py", line 699, in
> correctSymmetricSidechains
> d = dihedral.Dihedral(sel0, sel1, sel2, sel3)
> File "/usr/local/xplor-nih-2.30/python/wrappers/dihedral.py", line 76, in
> __init__
> this = _dihedral.new_Dihedral(*args, **kwargs)
> IndexError: argument 1: bad number: string segid " A" and resid 36 and name
> cd must contain a single atom
I wonder if resid 36 in segid A is somehow missing some atoms? What residue
type is this?
thanks--
Charles
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Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
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