Dear all,
I met a problem with Aromatic N atoms.
Here is the code:
----------------------------
sa='[#8]=!@[#6]-@1-@[#7]-@[#6]-@[#6]-@[#7]-@1-!@[#6]-!@[#6]-!@[#7]-@1-@
[#6]-@[#6]-@[#6](-@[#6]-@[#6]-@1)-!@[#6]:1:[#6]:[#7](:[#6]:2:[#6]:[#6]:[#6](:[#6]:[#6]:1:2)-!@[Cl])-!@[#6]:1:[#6]:[#6]:[#6]:[#6]:[#6]:1'
mc = Chem.MolFromSmarts(sa,False)
mc.UpdatePropertyCache()
------------------------------
The error info says " Explicit valence for atom # 16 N, 4, is greater than
permitted"
I also tried sanifix3.AdjustAromaticNs, but that doesn't work.
Is there an easy way to solve this problem?
Many thanks.
Best Regards,
Changge
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
