Sorry. I just upgraded my openbabel version and it works now.
-----Original Message-----
From: Geoffrey Hutchison [mailto:[email protected]]
Sent: Thursday, September 09, 2010 1:27 PM
To: Bradley Worley
Cc: [email protected]
Subject: Re: [Open Babel] inchi/inchikey and WriteString
> conversion works, but the inchikey WriteString() command that
> immediately follows gives the inchi string, not the inchikey. (yes,
> i'm using SetOptions("K",conv.OUTOPTIONS)).
It would be incredibly helpful if you could post the actual code.
Thanks very much,
-Geoff
---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: [email protected]
web: http://hutchison.chem.pitt.edu/
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