Thank you very much Stefano for your kind reply. As you suggested, as part of my several attempts I used the "disconnection symbol" (.) to hit the second amine in the molecule, but I couldnt figure out why it wasnt being recognized by obabel. From your answer, I know now that the problem is that this pattern is not supported. >From your suggestion, is there a way of counting functional group occurrencies within obabel?
kind regards Alfredo -- View this message in context: http://forums.openbabel.org/SMART-notation-to-select-diamine-molecule-tp4659297p4659299.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Mobile security can be enabling, not merely restricting. Employees who bring their own devices (BYOD) to work are irked by the imposition of MDM restrictions. Mobile Device Manager Plus allows you to control only the apps on BYO-devices by containerizing them, leaving personal data untouched! https://ad.doubleclick.net/ddm/clk/304595813;131938128;j _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
