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Optimizing conformer generation parameters | RDKit blog #22

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utterances-bot opened this issue Nov 30, 2022 · 1 comment
Open

Optimizing conformer generation parameters | RDKit blog #22

utterances-bot opened this issue Nov 30, 2022 · 1 comment

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@utterances-bot
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Optimizing conformer generation parameters | RDKit blog

Improving the speed of the RDKit’s conformer generator

https://greglandrum.github.io/rdkit-blog/3d/conformers/optimization/2022/09/29/optimizing-conformer-generation-parameters.html
@ShangChien utterances
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Hi！Does the crystal structure in this blog refer to the periodic structure in 3-dimensional space?
And I don't get it how to generate the crystal structure from mol with the help of rdkit

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@utterances-bot @ShangChien