I know there are MolSuppliers and ForwardMolSuppliers for handling multiple entries in a stream-like way from SDFiles, but I don’t see a reaction equivalent for RDFiles. My use case is one in which users have submitted multiple sketched reactions as RXN, for each to be validated and considered on its own merits, but I only see these as part of one file object. I’m reluctant to do string operations to split the file up, because it would forego the RDKit validity and make assumptions about the file format.
I'm working with the Python build if that's not obvious.
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
