[Libreoffice-bugs] [Bug 115989] LibreLogo: Add functionality to generate chemical formulas

[bugzilla-daemon at bugs.documentfoundation.org]

https://bugs.documentfoundation.org/show_bug.cgi?id=115989

--- Comment #2 from Alex Thurgood <iplaw67 at tuta.io> ---
(In reply to Volga from comment #0)
> Description:
> With this function LibreLogo can be able to produce chemical formula images
> if user input SMILES or InChIKeys.
> 

IMO, this is not a trivial undertaking. See for example:

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4486400/

Additionally, and for what it is worth, there is/was already an open source
software program written in Python that can/could save chemical structure files
to ODG format - it is/was called BKchem. It accepts SMILES and Inchlkey input
(not perfectly, bu then Inchl is ambiguous for some structures, e.g.
tautomers). 

Unfortunately, develoement of BKchem does appear to have stalled somewhat, the
last release being in 2010.

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