Molecule generated using SMILES

User 9852713200

28-05-2009 22:06:44

Hi,


Attached is a generated molecule using the same smiles string C1CCC(CC1)[C@H]1C[C@H](CCO1)N1C=CC=C1 but two different programs.  One is Marvin 5.2.2, and the other is Chemdraw.


Chemists think the one in Chemdraw are much more intutitive because s/he will never draw marvin-like molecule if s/he manually draws the structure.


Is this "clean 2D" related?  Can this be addressed?


Thanks,


 

ChemAxon 25dcd765a3

29-05-2009 17:55:56

Hi,


 


Thank you for the report.


I'm absolutely agree with you. The wedges should be at the side.


We will correct it soon.


 


I'll write here when the fix is ready.


Andras

User 9852713200

29-05-2009 18:04:44

Thanks! 


Can the fix be released as a patch instead of a major release so we can get it sooner?

ChemAxon 25dcd765a3

29-05-2009 18:13:49

Yes, the fix will appear most probably in 5.2.3


coming out hopefully in the next month.


 


Andras