rdkit-blog/posts/2023-05-17-understanding-confgen-errors

[utterances-bot]

RDKit blog - Understanding conformer generation failures

Getting more information when the conformer generation doesn’t work

https://greglandrum.github.io/rdkit-blog/posts/2023-05-17-understanding-confgen-errors.html

[szkafander]

Great post. Is there a simple way to check for stereoisomer validity without generating conformers?

[greglandrum]

Great post. Is there a simple way to check for stereoisomer validity without generating conformers?

I haven't found a good heuristic for this yet, but it would certainly be useful