On Thu, Apr 29, 2010 at 6:00 PM, LANCASHIRE,Robert J < robert.lancash...@uwimona.edu.jm> wrote:
> > 3. Re. JME specification: some hints at > http://wiki.jmol.org/index.php/File_formats/Coordinates#JME > > I note that the description on the WIKI should be changed: from: The JME Molecular Editor <http://www.molinspiration.com/jme/> (by Peter Ertl) is an applet which allows to draw, edit and display molecules and reactions within a web page. Among its output formats there is a proprietary JME format <http://www.molinspiration.com/jme/doc/jme_functions.html>, formed by a single line of text with atom and bond data. Jmol has a basic support to read this format from a file (only single and multipart structures are supported, but not reactions). Of course, being a drawing program, the structures produced are flat. *This support is rather experimental and not much needed, since JME-ME can also export to 2D MOL format, much better supported by Jmol.* To: The JME Molecular Editor <http://www.molinspiration.com/jme/> (by Peter Ertl) is an applet which allows to draw, edit and display molecules and reactions within a web page. Among its output formats there is a proprietary JME format <http://www.molinspiration.com/jme/doc/jme_functions.html>, formed by a single line of text with atom and bond data. Jmol has a basic support to read this format from a file (only single structures are supported, not multipart structures or reactions). Jmol 12.0 will automatically apply a 2D->3D conversion algorithm to the model. This works most successfully if stereochemistry is indicated. -- 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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