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
-- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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