Parsing problem:
This CXSMILES is not correctly parsed by ketcher CCCC* |$;;;;_AP1$,Sg:n:2:2,6-7:ht|
According to the CXSMILES docs and the current version of Marvin Sketch, that SGroup should be interpreted as Sg:n:2:2,6-7
Writing problem:
Similarly, when writing that CXSMILES ketcher should include the escaped comma.
The relevant section of the docs is: https://docs.chemaxon.com/latest/formats_chemaxon-extended-smiles-and-smarts-cxsmiles-and-cxsmarts.html#escaping
I tested this with the current version of ketcher (v.3.12.0) available at https://lifescience.opensource.epam.com/KetcherDemoSA/index.html
I found this as part of fixing the way the RDKit deals with these things.
Parsing problem:
This CXSMILES is not correctly parsed by ketcher
CCCC* |$;;;;_AP1$,Sg:n:2:2,6-7:ht|According to the CXSMILES docs and the current version of Marvin Sketch, that SGroup should be interpreted as
Sg:n:2:2,6-7Writing problem:
Similarly, when writing that CXSMILES ketcher should include the escaped comma.
The relevant section of the docs is: https://docs.chemaxon.com/latest/formats_chemaxon-extended-smiles-and-smarts-cxsmiles-and-cxsmarts.html#escaping
I tested this with the current version of ketcher (v.3.12.0) available at https://lifescience.opensource.epam.com/KetcherDemoSA/index.html
I found this as part of fixing the way the RDKit deals with these things.