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Support for RInChI #1063

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FelixBaensch opened this issue Apr 9, 2024 · 4 comments
Open

Support for RInChI #1063

FelixBaensch opened this issue Apr 9, 2024 · 4 comments

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@FelixBaensch
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I wonder if there is already a way to create a reaction InChI or am I just not finding it.
Or is it planned to integrate this in future, since RInChI is part of the JNA InChI?

@johnmay
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johnmay commented Apr 9, 2024

We had a patch a while ago but it made more sense to push that down to JNA-Inchi - https://github.com/dan2097/jna-inchi. Now it is in there we should add the RInChI support.

@FelixBaensch
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That sounds good, thank you. Can you say when this will be tackled? CDK v3.0?

@johnmay
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johnmay commented Apr 9, 2024

No, but we are always open to contributions.

@fbaensch-beilstein
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fbaensch-beilstein commented Apr 30, 2024

As we need it for internal purposes, we at the Beilstein-Institut would like to do our bit for the CDK. Starting with the implementation of this feature. But I don't know when I'll get round to it, so it might take a while.
Hence the comment from my Beilstein account.

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