Did anyone get a Perl version that works? I've been attempting something analogous using:
$OBConversion->SetOutFormat('sdf'); $OBConversion->AddOption('gen2d', $Chemistry::OpenBabel::OBConversion::GENOPTIONS); but $OBConversion->WriteString($OBMol) warns about missing coords and gives me all 0.0000 -- View this message in context: http://forums.openbabel.org/level-of-MNA-descriptors-tp3472849p3504475.html Sent from the openbabel-scripting mailing list archive at Nabble.com. ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ OpenBabel-scripting mailing list OpenBabel-scripting@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-scripting