Re: [Rdkit-discuss] Drawing structure with generic labels

2017-02-16 Thread Peter Gedeck
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

[Rdkit-discuss] Drawing structure with generic labels

2017-02-16 Thread Alexis Parenty
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: