Robert Hanson
Thu, 29 Oct 2009 08:34:03 -0700
Egon, Here's my first stab at an XML standard for isosurface files. The latest build of Jmol 11.9.7_dev should read and write these. In order to write them, use the ".xjvxl" extension when issuing the WRITE command. http://chemapps.stolaf.edu/jmol/docs/examples-11/xjvxl I'm pretty sure these validate -- other than not having a schema. Do you think you could write out a basic schema -- Relax NG would be nice, so I can read it -- not so much worrying about all the options? I can explain those later, or you can get most of it from just inspecting the files themselves. These are basically the full set of kind of files that Jmol now writes. I'll write up something explaining the "encoding" fields. There may be a few more attributes to add in various places. Bob -- 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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