Hello Alexis,
I had a look at the python and the C++ code for drawing of molecules.
Neither supports your requirement. It would be useful to implement it. I
can have a look at it in more detail and see if I could implement a quick
fix, e.g. Drawing a custom label based on an atom property.
Best
Hi everyone,
Is it possible to draw a structure from a SMARTS that contain generic label?
The following is a valid SMARTS for a structure with an undefined
heteroatom [N,O,P,S] and an undefined halogen [F,Cl,Br,I]:
[#7,#8,#15,#16]=C(CC1=CC([#9,#17,#35,#53])=CC=C1)[#7,#8,#15,#16]
[image:
2 matches
Mail list logo