I don’t think at the moment, we have something that copies any entries with errors. It’s a useful idea.
-Geoff On Feb 11, 2025 at 4:06:09 AM, Chris Swain via OpenBabel-discuss < openbabel-discuss@lists.sourceforge.net> wrote: > Hi, > > I want to convert some very large sdf files to SMILES. I know that some > structures will fail to convert. > > Is it possible to do the conversion creating two files, one containing the > valid SMILES and another file containing the records that failed to > convert? Either as a sdf file or simply a text file containing the title of > molecules. > > Cheers > > Chris > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >
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