[BioPython] one more question about dssp
Thomas Hamelryck
thamelry at binf.ku.dk
Fri Jun 18 12:27:58 EDT 2004
> One last question and I will try not to bother for a week...
That's what they all say :-) :-)
It's no problem - ask away, that's what the list is for...
> Using DSSP in Bio.PDB, I obtain an assertion error.
>
> I looked at the code in DSSP.py
> # Something went wrong if this is not true! <----
> assert(resname==aa)
That's a bug! DSSP renames some Cys residues to a, b, etc.
in case of SS bridges. I forgot to take that into account in the code
that asserts that the DSSP residue is the same residue as in the Model.
BUT: it's fixed in the CVS version.
A quick fix would be to remove the assert in case of CYS residues.
Cheers,
-Thomas
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