G'day,
As mentioned in that response I gave to the Feature Request -- the problem
is the inline data missing a few space characters in line 1.
Hmm, I think the SourceForge tracker has done some white-space
compaction :( When viewed in plain-text my original example has the
same white-space in the MGF header line as you suggest.
I've attached my example (also pasted below for digest readers but no
guarantees can be made about white-space preservation), which when run
with JmolApplet v11.6.3 results in the data being read as FoldingXYZ.
I've experimented with various amounts of white-space in the header line
with the same results each time.
Perhaps we have a bug in the Resolver's parse rule for MGF?
Regards,
Chris.
-----
<html>
<head><title>Jmol MopacGraphF Example</title></head>
<body>
<applet
code="JmolApplet"
archive="JmolApplet.jar"
height="300"
width="300"
>
<param name="loadInline" value=" 4 MOPAC-Graphical data Version
2007.7.156W|
8 0.0000000 0.0000000 0.0000000 -0.4225|
6 1.2108153 0.0000000 0.0000000 0.2364|
1 1.7927832 0.9304938 0.0000000 0.0931|
1 1.7927832 -0.9304938 0.0000000 0.0931|
5.4217510 2.2709600 0.0000000|
2.0475580 1.7028410 0.0000000|
1.2686410 0.0000000 0.0000000|
1.2686410 0.0000000 0.0000000|
0.72990985D+00 0.34171335D+00-0.19374693D-15 0.54377670D-15
0.45669941D+00|
-0.33435297D+00-0.27755576D-15 0.13737285D-14 0.12267301D+00 0.12267301D+00|
0.45424800D+00-0.23179137D+00
0.31658703D-16-0.26435458D-14-0.60169277D+00|
-0.33466696D+00 0.66613381D-15-0.67319691D-14-0.36461990D+00-0.36461990D+00|
-0.24096393D-15-0.18185797D-16-0.50244609D+00 0.12998172D-13-0.33007180D-15|
-0.10049199D-15-0.68168942D+00 0.17933349D-13-0.37606346D+00 0.37606346D+00|
-0.43340632D+00 0.68895964D+00 0.37047188D-15-0.84851588D-13-0.43845362D-01|
-0.47440245D+00 0.41633363D-15-0.64902343D-13-0.23506752D+00-0.23506752D+00|
0.44516789D-13-0.72063092D-13-0.21470630D-13-0.81949389D+00
0.12158810D-13|
0.54042566D-13-0.15068204D-13-0.57308792D+00 0.23952170D-13
0.23876692D-13|
0.35735304D-15-0.34520997D-15 0.84565001D+00-0.22228335D-13
0.24980018D-15|
-0.34694470D-15-0.25935442D+00 0.62764233D-14-0.32985705D+00 0.32985705D+00|
0.16389881D-14-0.35679314D-14 0.15146189D-13 0.57308792D+00
0.13409761D-13|
0.10193538D-13-0.22014771D-13-0.81949389D+00-0.79041107D-14-0.86303860D-14|
0.11479452D+00 0.39476332D+00 0.44741771D-14
0.51532251D-14-0.65360634D+00|
0.87827921D-01-0.14821477D-13-0.16346726D-13 0.44501076D+00
0.44501076D+00|
-0.24468662D+00-0.44609560D+00-0.14069759D-13 0.35732089D-14 0.16364179D-01|
-0.73718023D+00 0.52423343D-13-0.11413266D-13 0.31418521D+00 0.31418521D+00|
0.20976276D-13 0.42237047D-13-0.18006664D+00
0.50732138D-14-0.16209256D-13|
0.57287508D-13 0.68413070D+00-0.18474934D-13-0.49977054D+00
0.49977054D+00|
0.10196267D+01|
0.40054833D-01 0.10920846D+01|
0.85750152D-15 0.11888902D-14 0.10190736D+01|
0.71659852D-15 0.12796171D-14 0.16599177D-14 0.10170846D+01|
-0.45740611D-01-0.17793295D+00-0.40404331D-14-0.49341528D-14 0.12185877D+01|
0.11293286D+00 0.19305307D+00-0.36900138D-14-0.44426269D-14
0.52644247D-01|
0.11269900D+01|
-0.72340703D-14-0.77045179D-14-0.12640479D+00-0.67769893D-14 0.58981014D-14|
-0.72147181D-15 0.12120691D+01|
-0.48273961D-14-0.59693754D-14-0.47569905D-14-0.10798284D+00 0.10678472D-13|
0.37625447D-14-0.31733256D-14 0.10170846D+01|
-0.14856782D-01-0.17687973D-01 0.24197372D-01 0.47201684D-15-0.26124232D+00|
-0.16391581D+00-0.30192832D+00-0.53944178D-14 0.12216511D+01|
-0.14856782D-01-0.17687973D-01-0.24197372D-01-0.33803516D-14-0.26124232D+00|
-0.16391581D+00 0.30192832D+00-0.19963219D-13-0.72366597D-01 0.12216511D+01|
-32.0037 2 1|
-23.5573 2 2|
-17.1753 2 3|
-15.1402 2 4|
-14.7591 2 5|
-10.2036 2 6|
0.0321 0 7|
4.0856 0 8|
4.4599 0 9|
4.7427 0 10|
Keywords: PM6 SYMMETRY GRAPHF|
">
</applet>
</body>
</html>
Title: Jmol MopacGraphF Example
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