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Java API usage #10

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tdudgeon opened this issue Apr 12, 2019 · 1 comment
Open

Java API usage #10

tdudgeon opened this issue Apr 12, 2019 · 1 comment

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@tdudgeon
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Can you point to an example of using the Java API for generating tautomers.
For instance, if I have CDK IAtomContainer how can I generate tautomers for that molecule, along with this associated information such as the energy score.
@NicolaiRee
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I am also really interested in how to get started with ambit-tautomers.

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@tdudgeon @NicolaiRee