>On Fri, Oct 30, 2009 at 3:03 PM, Rzepa, Henry <[email protected]> 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.
(Voracious anti-spam filter in operation for received email.
If expected reply not received, please phone/fax).
------------------------------------------------------------------------------
Come build with us! The BlackBerry(R) Developer Conference in SF, CA
is the only developer event you need to attend this year. Jumpstart your
developing skills, take BlackBerry mobile applications to market and stay
ahead of the curve. Join us from November 9 - 12, 2009. Register now!
http://p.sf.net/sfu/devconference
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
