Dear Norwid, Thanks for the pointer. I've checked the project page[1] and manual[2]. That would be a great idea.
Especially a preprocessor to convert SMILES into chem code, would be very helpful. Something like this: .SMI [options] CCO .SME Which will be replaced by: .cstart chem data .cend I would like to take a look at it (although it would take some time due to other obligations). As for the patches I've sent and the bug[3], I would like to get some pointers as of how to proceed from here. Is there more testing needed? And if so, what should be tested? Or is there anything else which needs to be clarified or done? I would like to finish this part before moving to something else. Kind regards, Hans [1] https://pypi.org/project/mol2chemfigPy3/ [2] https://mirror.ox.ac.uk/sites/ctan.org/graphics/mol2chemfig/mol2chemfig-doc.pdf [3] https://savannah.gnu.org/bugs/?67496 Norwid Behrnd <[email protected]> wrote: > Dear Hans, > > I became aware of [mol2chemfig] and its fork/port to Python3, > [mol2chemfigPy3] and started to think if this way: to render molecules, > chemfig uses struts and cycles. Could one use this script (which already > reads SMILES and .mol files a molecule editor provides) with adaptions for the > similar task groff's `chem` does to accelerate/facilitate the construction of > chemical structures here? A few examples of the eventual chemfig compilation > with pdfLaTeX are enclosed in the .zip archive. > > Best regards, > > Norwid > > [mol2chemfig]: https://www.ctan.org/pkg/mol2chemfig > [mol2chemfigPy3]: https://github.com/Augus1999/mol2chemfigPy3
