On Feb 11, 2025, at 10:06, Chris Swain via OpenBabel-discuss
wrote:
> 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 conta
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, <
openbabel-discuss@lists.sourceforge.net> wrote:
> Hi,
>
> Many thanks for the prompt response,
> Chee
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 k
Hi,
Many thanks for the prompt response,
Cheers
Chris
> On 12 Feb 2025, at 20:19, Geoffrey Hutchison
> 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
