Thanks. That’s more or less how it looks now. The characters are a bit big,
but I think that’s a consequence of the coordinates in the file.
On Mon, 5 Sep 2022 at 11:51, Rüdiger Lang wrote:
> Hello David,
>
>
>
> first of all thank you for your work on this great program. Attached is
> the
Hello David,
first of all thank you for your work on this great program. Attached is the
drawing of how we think the mol files should look.
Best Rüdiger
Von: David Cosgrove
Gesendet: Montag, 5. September 2022 12:04
An: Rüdiger Lang
Cc: rdkit-discuss@lists.sourceforge.net
Betreff: Re:
I have filed a fix that will hopefully appear in the next patch release.
In the meantime, I fear there is no workaround other than restarting the
script after the offending molecule, which will be a nuisance to automate.
Dave
On Mon, Sep 5, 2022 at 11:04 AM David Cosgrove
wrote:
>
> Thanks,
Thanks, Rüdiger. On my mac it crashes with a segmentation fault, due to it
using a negative index into a vector. That's also consistent with
your exception, since it has taken an unsigned integer below zero which
wraps round to a very large number. Disappointingly, it is in my drawing
code, so
Hello Dave,
Thanks! I use the version 2022.03.05 but you are of course right, I had
attached the wrong mol-file. Sorry for that. But now two files where it
actually does not work.
Best Rüdiger
Von: David Cosgrove
Gesendet: Samstag, 3. September 2022 09:12
An: Rüdiger Lang
Cc:
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