Honestly it doesn't matter. I forgot that Jmol reads MOL files with a FILTER "2D" option. But the JME would be nice just in the sense that it is ABSOLUTELY a 2D format. I don't have the specification. You can ask Peter Ertl, though. He might have it. Or just look in the Jmol JmeReader.java file to see how we read them. A few nuances. All one line. #atoms #bonds Sym1 x1 y1 Sym2 x2 y2 Sym3 x3 y3 ... Bond1A Bond1B Bond1Order ....
with + or - appended to a symbol for charges, bond order -1 for up, -2 for down. That's all I know. Bob On Wed, Apr 28, 2010 at 11:35 PM, Egon Willighagen < egon.willigha...@gmail.com> wrote: > On Thu, Apr 29, 2010 at 6:32 AM, Robert Hanson <hans...@stolaf.edu> wrote: > > Feature request #1: JME output. It's simple, concise, and I think allows > for > > everything you have there. > > Do you have a specification of that format? > > Egon > > -- > Post-doc @ Uppsala University > Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg > Homepage: http://egonw.github.com/ > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers > > > ------------------------------------------------------------------------------ > _______________________________________________ > Jmol-developers mailing list > Jmol-developers@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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