On Thu, Apr 29, 2010 at 6:00 PM, LANCASHIRE,Robert J <robert.lancashire@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 (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, 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 (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, 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