MarvinSketch Atom List structure Smile string is empty

User b1cafb7e8a

29-11-2010 19:44:03

The smile string is empty when I do .getMol("smiles")  for a Atom List structure. A Atom List structure is when I draw any normal structure (like a cyclopentane) then click the "More" button on the right. Click "Atom List". Click to highlight each of N O F and click "Close". Then put that on any cyclopentane point. I have attached the image of this structure.


We are using Marvin Sketch version 5.3.8. Issue occurs in multiple browsers (FF 3.6.12, IE 8.0.6001.18702). JRE version 6 update 22.


Any idea why Marvin Sketch is not returning the Smiles for this type of structure?


 

ChemAxon 25dcd765a3

30-11-2010 17:19:21

It is not possible to export such molecule to SMILES (you cannot export atom list to SMILES).


It is possible to export it to SMARTS. So I suggest to use getMol("smarts").


I hope this helps


Andras

User b1cafb7e8a

30-11-2010 20:16:44

Awesome! Thanks very much!! That works:)