Re: [Jmol-users] writing an xyz file from the Jmol application

[Bob H. <ha...@st...>]

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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