hello. I have a simple question for obabel. MEA (HOCH2CH2NH2) has 15 3D-conformations such as gG'g, gGt etc. The symbols of g and G stand for gauche, and t is trans. But I obtained only one conformation using the following command. $ obabel -:"NCCO" -O file.xyz --conformer --gen3d --writeconformers --weighted How can I obtain the files of 3D-coordinates of 15 conformers for MEA?
yoshi Kyoto Univ., JAPAN -- View this message in context: http://forums.openbabel.org/Conformation-search-tp4632546.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ 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
