dative bonds

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dative bonds

RK11
Dear OpenBabel Users,

Could anyone give me a list of the transformations done by the "-b" option in babel? I was just wondering whether there is a SMARTS pattern list including the input and output patterns? All I could found for this option is that it converts [N+]([O-])=O to N(=O)=O.

Thanks your time and help in advance!

Robert  



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Re: dative bonds

Geoffrey Hutchison
> Could anyone give me a list of the transformations done by the "-b"  
> option in babel? I was just wondering whether there is a SMARTS  
> pattern list including the input and output patterns? All I could  
> found for this option is that it converts [N+]([O-])=O to N(=O)=O.

It's general code -- it looks for +/- formal charge pairs and converts  
them. So it works on anything, not just a set of SMARTS patterns.

Hope that helps,
-Geoff

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