> After reading the docs I think that adding individual properties to > individual molecules in a multi molecule sdf files is probably not possible? > I have an sdf file with 500k molecules and I would like to add a little > unique identifier that isn’t a supported descriptor to each molecule and then > write out the altered sdf file.
Personally, I'd do this with a quick Python script, since a Pybel molecule has a data property: https://open-babel.readthedocs.io/en/latest/UseTheLibrary/Python_PybelAPI.html#pybel.Molecule.data <https://open-babel.readthedocs.io/en/latest/UseTheLibrary/Python_PybelAPI.html#pybel.Molecule.data> -Geoff
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