Re: [Jmol-users] Can I get the Jmol content as CML?

[Rzepa, H. <h....@im...>]

>On Fri, Oct 30, 2009 at 3:03 PM, Rzepa, Henry <h....@im...> wrote:
>> As it happens, Bob and I have been having a discussion about eg  saving  XYZ (with
>> vibrational vectors).  Bob's documentation does describe the process, although of course
>> one has to use the signed applet to use the  write command if doing so from a  Web page.
>
>Ah, right... 'write COORDS MOL "file"' is what I need.
>


In case anyone finds it useful, eg

<script type="text/javascript">jmolApplet(600,'x=115;load "T4-dif-4+-G03.log" 2;mo @x;mo cutoff 0.015;mo fill;mo nomesh;write mo @{"/Users/rzepa/documents/diederich/T4-dif++"+x+".jvxl"};isosurface cutoff 0.015 mo @x;')</script>

is how one might use variables to write out files.  Bob sent me that one!

-- 

Professor Henry S Rzepa.
+44 (020) 7594 5774 (Voice); http://www.ch.ic.ac.uk/rzepa/ & /rzepa/blog
Dept. Chemistry, Imperial College London, SW7  2AZ, UK.

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