Hi All, this is how I use openbabel to compute descriptors, L5 is not working, though (openbabel version is 2.3.1).
$obabel -:CCC -otxt --append MW -osmi CCC 44.0956 1 molecule converted $obabel -:CCC -otxt --append L5 -osmi CCC nan 1 molecule converted Thanks for your help, with best regards, Martin -- Dipl-Inf. Martin Gütlein Phone: +49 (0)761 203 7633 (office) +49 (0)177 623 9499 (mobile) Email: guetl...@informatik.uni-freiburg.de ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
