Hi Andy,
If -1 is used for the random number seed, the RDKit will use the current date
(including seconds) as seed (Greg, please correct me if I’m wrong). Therefore,
you get a different seed every time you run the script. If you use a fixed
seed, you will generate the same conformations every
Hi RDKitters,
Whilst looking at generating some conformations of molecules using the
ETKDG method with EmbedMultipleConfs I've come across some strange (to me)
behavior.
When I generate conformations of some molecules with the randomSeed as -1
the result is a variable number of conformations.
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