OK, I understand.
Is there a beta version of JmolApplet.jar I should be using rather than 10.00?
Aside, then: I'd like to express some concern if a standard file extension -- .xyz -- is starting to be used for nonstandard file formats. (Or have there always been two competing versions of what ".xyz" means?) I understand that jmol doesn't distinguish file types by name, but this seems unnecessary. Why not .fah or something distinctive? I like the format, by the way. Are the specifications indicated somewhere?
Bob Hanson
[EMAIL PROTECTED] wrote:
De: Bob Hanson <[EMAIL PROTECTED]>
what format is p2003.xyz? Not XYZ? It has numbers down the left and bonds on the right?
2564 p2003_ab1-42_4mer_opls-dummy 1 N 59.758348 96.822567 129.784012 2 509 511 512 2 H1 58.801394 96.799278 130.106173 1 3 CG2 65.115614 93.481274 125.277843 4 5 6 7
My version of jmolApplet doesn't read this at all, and Chime chokes as well.
This is [EMAIL PROTECTED] format (http://folding.stanford.edu), and Jmol does read this format (I have added the reader several months ago). It's normal Chime doesn't read it. The problem doesn't seem to be with the reader itself: AFAIK the reading is already done, Jmol is doing some finalization. The exception is thrown by hand (throw new NullPointerException) not by an incorrect object. The thrown exception is probably by design but I don't know why
Nicolas
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Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:[EMAIL PROTECTED] http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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