Simon
Simon
On a sidenote, I don't understand the use of ResonanceMolSupplierCallback, I tested it on a few molecules and it seems if the molecule only has one resonance structure it never...
Has this been fixed?
@ptosco was this fixed?
that would be really helpful as a lot of (especially older) datasets I would like to annotate with structures use these type of names.
Would it maybe be possible, in a first step, to give a warning that says stereo information of this type was ignored but still get a structure?
Just one follow up question: Is there a way for to use the OPSIN jar file to get information on the name regarding the stereochemistry? Such as relative cis/trans, cis/trans...
Thank you very much! Would implementing the verbose output for cis and trans be very time consuming, or does the code already just discard this info and it would just...
Is there a time line for the zotero 7 support?
Hi, I recently published a paper on this: https://doi.org/10.1186/s13321-019-0382-3
> > > Hi, I recently published a paper on this: https://doi.org/10.1186/s13321-019-0382-3 @muratyalcinmy: if @Plancalkuele publishes the algorithm it would be interesting to compare with the one I published to...