Bugs item #1106664, was opened at 2005-01-21 13:27
Message generated for change (Comment added) made by egonw
You can respond by visiting:
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Egon Willighagen (egonw)
Assigned to: Nobody/Anonymous (nobody)
Summary: Rebond fails on Mopac file with structure in xy plane
Initial Comment:
FileManager.openFile(/home/egonw/data/Projects/SourceForge/Jmol/Jmol-HEAD/samples/mopac/mopac2002-h2o-vib.out)
SmarterJmolAdapter:The Resolver thinks:Mopac
H 0.0 0.0 0.0
O 0.776936 0.54828405 0.0
H 1.536404 -0.02388994 -6.0E-6
H 0.0 0.0 0.0
O 0.950945 0.0 0.0
H 1.2399515 0.9059844 0.0
H -0.91391104 -0.050686996 0.0
O 0.037034 -0.050686996 0.0
H 0.32604003 0.85529697 0.0
openFile(/home/egonw/data/Projects/SourceForge/Jmol/Jmol-HEAD/samples/mopac/mopac2002-h2o-vib.out)
3 ms
sequential bspt order
time to build bspf=0 ms
java.lang.NullPointerException
at org.jmol.bspt.Bspf.stats(Bspf.java:65)
at
org.jmol.viewer.Frame.initializeBspf(Frame.java:1035)
at
org.jmol.viewer.Frame.rebond(Frame.java:1124)
at
org.jmol.viewer.Frame.doAutobond(Frame.java:1097)
at org.jmol.viewer.Frame.<init>(Frame.java:191)
at
org.jmol.viewer.ModelManager.setClientFile(ModelManager.java:72)
at
org.jmol.viewer.Viewer.openClientFile(Viewer.java:1020)
at org.jmol.viewer.Viewer.getOpenFileError1
(Viewer.java:993)
at
org.jmol.viewer.Viewer.getOpenFileError(Viewer.java:978)
at org.jmol.viewer.Eval.load(Eval.java:1656)
at
org.jmol.viewer.Eval.instructionDispatchLoop(Eval.java:349)
at org.jmol.viewer.Eval.run(Eval.java:289)
at java.lang.Thread.run(Thread.java:534)
----------------------------------------------------------------------
>Comment By: Egon Willighagen (egonw)
Date: 2005-01-21 14:20
Message:
Logged In: YES
user_id=25678
HEAD too, with modified MOPAC reader, which I just
commited... the other MOPAC files are fine, and can find
nothing wrong with the reading...
----------------------------------------------------------------------
Comment By: Miguel (migueljmol)
Date: 2005-01-21 14:12
Message:
Logged In: YES
user_id=1050060
Egon,
Which version were you using?
This works for me using HEAD
Miguel
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