> i will need to have a format suitable for RMG (reaction mechanism > generator). > The format that RMG needs looks like that:
I think you'll need to ask the RMG folks how they input data. While I know they use Open Babel, there is no "RMG format" in Open Babel. Best regards, -Geoff ------------------------------------------------------------------------------ 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
