Sorry this one slipped off my radar. Hopefully a late reply is still
helpful.
On Thu, Oct 12, 2017 at 10:10 PM, Jason Biggs wrote:
>
> I'm creating a public-facing data structure that uses the rdkit as the
> back end. I don't want to expose three different levels of existence for a
> hydrogen -
I'm creating a public-facing data structure that uses the rdkit as the back
end. I don't want to expose three different levels of existence for a
hydrogen - I want them to be actual Atoms or be implied by valence.
What are the consequences of always converting anything the rdkit would
return via
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