If you use the -e option, I think it will write out an empty SMILES with the title. Or was this something I didn't add in the end...
On Wed 12 Feb 2025, 20:34 Chris Swain via OpenBabel-discuss, < [email protected]> wrote: > Hi, > > Many thanks for the prompt response, > Cheers > Chris > > On 12 Feb 2025, at 20:19, Geoffrey Hutchison <[email protected]> > wrote: > > 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 >
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