On 06/10/2018 02:27, Eric Jonas wrote:
Hello! Is there a recommended stable format for long-term storage of RDKit molecules? Will ToBinary() give me what I need? (the documentation / purpose seems to be a bit... spartan) I'd like to save topology, conformers, and properties (at the atom, bond, and molecule level) to disk a format that is likely to persist across RDKit versions / other libraries. I've had bad experiences historically with pickle, which is not recommended for long-term storage.
Isn't a (compressed?) sdf file the way to go then?
Thanks, ...Eric _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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