I see that a quadruple bond, $, is included in the Open Smiles
Specification http://www.opensmiles.org/spec/open-smiles-3-input.html#3.2
Is there any reason why it shouldn't be implemented in OpenBabel?
It's not that I need a quadruple bond, but in extending the query
string in the fastsearch c
Can OB handle quadruple bonds okay?
2009/11/25 Chris Morley :
> I see that a quadruple bond, $, is included in the Open Smiles
> Specification http://www.opensmiles.org/spec/open-smiles-3-input.html#3.2
>
> Is there any reason why it shouldn't be implemented in OpenBabel?
>
> It's not that I need
I think OB can handle quadruple bonds, in as much as you can set a
bond order to 4. Bond order 5 is used for aromatic bonds. (MDL mol
files use 4 for aromatic).
Or do you know differently?
Chris
Noel O'Boyle wrote:
> Can OB handle quadruple bonds okay?
>
> 2009/11/25 Chris Morley :
>> I see t
Bugs item #2903926, was opened at 2009-11-25 17:57
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