Hi All,
I have been trying to use sanifix4.py to get around the "Can't kekulize mol" problem but without success. I have a library of compounds with O=c1cccnn1 fragment unable to kekulize (example:CCC(N)Cc1cc(=O)[nH]nc1c2ccco2). It has been a few years since this script came ut. I just wonder if anyone has further develop this script to enable application to more nitrogen aromatics?
Previous discussions:
http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg01185.html
http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg01162.html
http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg01900.html
Regards,
Mei Woo
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