Hi Bob,
Your code is much better, for me, since I only have to consider 6.5 or
higher, I simply
replaced the "intensities" with "force".
The following is from the jaguar 6.5 file:
frequencies -10.85 18.28 24.29 27.14 42.05 46.10
reduc. mass 0.73 0.59 2.62 2.07 0.81 1.55
force const 0.00 0.00 0.00 0.00 0.00 0.00
C1 X -0.02298 -0.01260 -0.00123 -0.01254 -0.00857 0.01963
C1 Y 0.04176 -0.02403 0.02143 -0.00946 -0.01261 -0.05496
C1 Z 0.00437 0.00713 0.02151 0.01250 0.00722 -0.01499
C2 X -0.02165 -0.01126 0.00024 -0.00784 -0.00522 0.02189
But when I use the jmolloadinline, it always give me error message which
said
format can not be recognized. What I did is I got the contents of the
jaguar file and
passed them by jmolloadinline.
<SCRIPT>
jmolInitialize("../jmol");
jmolCheckBrowser("popup", "../../browsercheck", "onClick");
var script ="wireframe .1; cpk off;" +
"frame 3; vectors on; color vectors yellow;" +
"move 10 -20 10 0 0 0 0 0 1; delay 1; vibration on;";
var mol ='Job PY_QZ1-1_GOB1V started on bc54 at Fri Jul 27
07:57:45 2007\n'+'jobid: bc54-0-46a9ebc8\n'
+'+--------------------------------------------------------------------+\n'
+'| Jaguar version 6.5, release
106 |\n'
+'| |\n'
+'| Copyright (c) 2005 Schrodinger,
LLC. |\n'
+'| All Rights
Reserved. |\n'
+'| |\n'
....
....;
jmolApplet(400," ");
jmolAppletLoadInline(mol,script);
</SCRIPT>
Thanks,
Alan
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