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hhaensel
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Add coordgen! to inchitomol

@hhaensel hhaensel marked this pull request as draft June 19, 2023 15:25
@hhaensel
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With the latest PR #138 this would be unnecessary. However, the question is still valid, whether we should generate a molecule from inchi without creating coords via coordgen!(). The PR above requires coordgen!() in order to get the stereo right.

@mojaie
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mojaie commented Sep 26, 2025

Since coordgen! can be very expensive, I think it would be best to force calculations only when stereochemistry is required.

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2 participants