Bob,
I was using 11.0.2
I'm now using 11.0.3
same result
$ write coord "filename.xyz"
script ERROR: ScriptException:quoted string expected
Script line:write coord "filename.xyz"
$ write coords "filename.xyz"
script ERROR: ScriptException:write what? STATE|HISTORY|IMAGE CLIPBOARD
or JPG|JPG64|PNG|PPM|SPT "filename"
Script line:write coords "filename.xyz"
$
Could it be something to do with how I have installed Jmol? Should I
delete older versions (I first looked at it Jmol 10.0 and that version
is still on my machine)
All I have done is downloaded 11.0.3, unzipped it and double clicked on
Jmol.jar to launch the application, is there more to it?
thanks
steve
>>> Bob Hanson <[EMAIL PROTECTED]> 10-May-07 2:18 pm >>>
Upgrade to latest version. If you look there, XYZ is not one of the
options. The current option list looks like this:
script ERROR: write what? COORDS|HISTORY|IMAGE|ISOSURFACE|MO|STATE|VAR
x CLIPBOARD or JPG|JPG64|PNG|PPM|SPT|JVXL|XYZ|MOL|PDB "filename"
Stephen Hillier wrote:
>Bob,
>
>I've tried these exactly - with my own file name - then cut and
paste
>from the e-mail to be sure - but get the following responses:
>
>$ write coord "filename.xyz"
>script ERROR: ScriptException:quoted string expected
> Script line:write coord "filename.xyz"
>$ write XYZ "filename"
>script ERROR: ScriptException:write what? STATE|HISTORY|IMAGE
CLIPBOARD
>or JPG|JPG64|PNG|PPM|SPT "filename"
> Script line:write XYZ "filename"
>$
>
>
>steve
>
>
>
>>>>Bob Hanson <[EMAIL PROTECTED]> 10-May-07 1:56 pm >>>
>>>>
>>>>
>It's a misprint/bug. You do have to specify the type of write you
>want:
>
>write coord "filename.xyz"
>
>or, if the filename is not explicit:
>
>write XYZ "filename"
>
>I see now that there is a typo in the documentation or a bug in Jmol
in
>
>that "coord" not "coords" is necessary. I think I will consider this
a
>
>bug and add "coords" to Jmol's vocabulary.
>
>Stephen Hillier wrote:
>
>
>
>>Hi,
>>
>>I am trying to use the command
>>
>>write coords "filename" with the Jmol application to save an *.xyz
>>file , I have also tried
>>
>>write "filename.xyz"
>>
>>I am trying to create and save a file that I can then load into
power
>>point as per instructions at:
>>
>>http://dcwww.camp.dtu.dk/~strabo/jmolinfo.htm
>>
>>
>>
>>
>>
>say, that's a VERY nice page. Do we know the author?
>
>
>
>>However, I can't seem to find the correct syntax for the coords bit,
>>
>>
>I
>
>
>>just can't get that to run with out an error
>>
>>I can successfully save a file using just write "filename.xyz" but
>>
>>
>the
>
>
>>file created doesn't seem to contain the XYZ information, just lots
>>
>>
>of
>
>
>>other information about the state, and a path to the original xyz
file
>>
>>
>I
>
>
>>have used? Then when I try to load the file created as 'write
>>"filename.xyz"' into power point the Jmol applet complains it's the
>>wrong format!
>>
>>My basic questions then are:
>>
>>How do I save a file in the correct format from the Jmol
application?
>>
>>Can that file also contain information about any
>>
>>
>objects/mofifications
>
>
>>etc I have made such as adding polyhedra? Or must I run a script to
>>create those after loading the XYZ file?
>>
>>Making progress, but still very much a beginner,
>>
>>steve
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>
>
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