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 < [email protected]> 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 > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >
_______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
