See the section "To obtain a fingerprint" in the API docs:
http://openbabel.org/dev-api/classOpenBabel_1_1OBFingerprint.shtml#_details
On 14 December 2011 15:31, Marianne Seijo <marianne.se...@epfl.ch> wrote:
> Hello,
>
> I use the openbabel API and really exciting to the all the possibilities of
> OB. I use C++.
> Actually, I have a problem with the fingerprint of a molecule. Naively, I
> create a small procedure to assign a fingerprint to a OBMol object
> (fp is a global vector<unsigned int> variable)
>
> void Molecule::setFingerPrint (OBMol mol){
> OBFingerprint *pFingerPrint;
> pFingerPrint->GetFingerprint(&mol, fp);
> }
>
> But a segmentation fault means that I make something wrong with this look
> small and simple procedure
>
> Any help would be of a great help.
>
> Regards,
>
>
> Marianne
>
> ------------------------------------------------------------------------------
> Cloud Computing - Latest Buzzword or a Glimpse of the Future?
> This paper surveys cloud computing today: What are the benefits?
> Why are businesses embracing it? What are its payoffs and pitfalls?
> http://www.accelacomm.com/jaw/sdnl/114/51425149/
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> OpenBabel-Devel@lists.sourceforge.net
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>
------------------------------------------------------------------------------
Cloud Computing - Latest Buzzword or a Glimpse of the Future?
This paper surveys cloud computing today: What are the benefits?
Why are businesses embracing it? What are its payoffs and pitfalls?
http://www.accelacomm.com/jaw/sdnl/114/51425149/
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