When I load Quinazoline molecule from SDF(CID: 9210, http://www.ncbi.nlm.nih.gov/pccompound) file, when I check if a bond is aromatic, it checks out, however when I create the same molecule manually, it no longer detects the bonds as aromatic.
I've tried to SetAromaticPerceived () but still no luck. I tried setting couple of other functions but still no luck. Also, if I modify the SDF file, changing the two Nitrogens atoms to Carbon atoms, it still thinks the the structure is aromatic. Based on the aromaticity rules loosing the Nitrogens and since it is a cycle-hexane, shouldn't it not be considered aromatic any longer? Thanks, Andi -- View this message in context: http://forums.openbabel.org/Setting-Aromaticity-tp3416960p3416960.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
