Greetings to all,
I am currently trying to generate a set of 3D optimized molecular descriptors for a series of compounds containing several stereoisomers. Among the compounds at hand, I have pentagalloylglucose (PGG), C40H30O26 (MW 926.7), which fails to make it through the RDKit Optimize Geometry node, returning an error "Molecule has no coordinates. Creating empty output". This also happens with several other molecules of the series, the heaviest of them in fact which are all in the same waters as PGG.
Is there a limitation to the size of compounds handled by this module, and any way to overcome this (I suspect I am not that far from the actual treshold)?