Re: [Cdk-devel] [Cdk-user] SDF/cdk molecule to SMILES

[Egon W. <ewi...@un...>]

On Tuesday 24 October 2006 10:47, Stefan Kuhn wrote:
> The SmilesGenerator works on CDK AtomContainers. The code is like this:
>
>     SmilesGenerator sg = new
> SmilesGenerator(DefaultChemObjectBuilder.getInstance());

Is that really the code? What does the SMILES generator need an 
IChemObjectBuilder for?? I guess for initialization... but I consider this an 
API bug, and wil fix this asap.

Egon

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