PDFgui and Jmol

[Mikhail Feygenson]

Hi all,

I would like to use Jmol to look on the initial and refined
structures. In Edit - Preferences I browsed Jmol.jar file, which
starts Jmol when double-clicked in Windows. However, when I try to
plot a structure it doesn't even start Jmol. It just blinks for a
second.

Can somebody help?

I am using Win 7 and PDFgui updated with "diffpy.Structure-1.0-
r5333-20100601.tar"

Thank you,
Mikhail

[Pavol Juhas]

Hi Mikhail,

The jar file is not really a Windows executable. It is
a compiled java code, that has meaning only for the
java interpreter. So to get the jmol running, you
need to set

Structure viewer executable: c:\windows\system32\javaw.exe
Argument string: -Xmx512m -jar "C:\Program Files\jmol
\jmol-12.0.43\jmol.jar" %s
Structure format: cif

You may need to adjust this according to the actual paths to
your javaw.exe and jmol.jar. Another option is to use jmol.bat
as the structure viewer, but that requires setting the
JMOL_HOME environment variable to the directory of jmol.jar.

Hope this helps,

Pavol

[Simon Billinge]

sweet, thanks Pavol. I tried to do the same and couldn't make Jmol
work before. Will try again and have built in structure plotting in
PDFgui on Windows finally.

S

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