Hey Guys, i will need to have a format suitable for RMG (reaction mechanism generator). The format that RMG needs looks like that:
C2H6 (mol/cm3) 1.0 1 C 0 {2,S} 2 C 0 {1,S} I have no idea how this one is called. Hope you can help me. Best -- View this message in context: http://forums.openbabel.org/How-to-convert-smiles-code-into-adjacency-list-format-tp4261000p4261000.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Ridiculously easy VDI. With Citrix VDI-in-a-Box, you don't need a complex infrastructure or vast IT resources to deliver seamless, secure access to virtual desktops. With this all-in-one solution, easily deploy virtual desktops for less than the cost of PCs and save 60% on VDI infrastructure costs. Try it free! http://p.sf.net/sfu/Citrix-VDIinabox _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss