Hi,
I'm working on an OBFormat for parsing SMILES using my new Smiley parser.
The initial tests look good but there is a specific problem regarding
aromatic nitrogens. When I read a molecule using the new format and write
out the caonical smiles, all aromatic nitrogens are written out as "[nH]".
Does anyone know how the original SMILES parser handles this or how I
should fix this issue?
Thanks,
Tim
------------------------------------------------------------------------------
Monitor your physical, virtual and cloud infrastructure from a single
web console. Get in-depth insight into apps, servers, databases, vmware,
SAP, cloud infrastructure, etc. Download 30-day Free Trial.
Pricing starts from $795 for 25 servers or applications!
http://p.sf.net/sfu/zoho_dev2dev_nov
_______________________________________________
OpenBabel-Devel mailing list
OpenBabel-Devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-devel
