On Tue, Mar 15, 2005 at 07:29:24PM -0500, Miguel wrote:
>
> > I would like to animate the steps of a G98 optimisation so the user can
> > click though the structures at each step of the optimisation. However
> > jmol.js reads both the input geometry and the standard orientation
> > geometry at each step. These of course can be very different, so
> > stepping through the structures has it flicking from one to the other.
> > Is there a way of only reading one of them, short of suppresing the
> > standard orientation by running G98 with symmetry suppressed?
>
> Don't know. Not familiar Gaussian or any of the other programs that people
> use to generate molecular models.
>
> If you are building a web page then I would just create buttons and put
> explicit 'frame' script commands behind the buttons. Or, if they are very
> regular you can put 'frame next; frame next;' behind a button and it will
> skip two frames instantly.
Following this advice I came up with the following which seems to work.
Frame 1 is the input orientation, so we start at frame 2, the standard
orientation. The button then moves on two frames. The rewind button goes
back to frame 2. Hope this helps other Gaussian users.
<table><tr><td>
<script>
jmolSetAppletColor("palegreen");
var script="load images/water_o_g98.log; wireframe 0.1; cpk off;" +
"frame 2; rotate Y -90; anim off";
jmolApplet(250, script);
</script>
</td><td>
</td><td>
<center>
<script>
jmolBr();
jmolButton("frame next; frame next;", "Move on one frame");
jmolBr();
jmolButton("frame 2;", "Rewind");
jmolBr();
</script>
</center>
</td></tr></table>
Cheers, Brian.
>
>
> Miguel
>
>
>
> -------------------------------------------------------
> SF email is sponsored by - The IT Product Guide
> Read honest & candid reviews on hundreds of IT Products from real users.
> Discover which products truly live up to the hype. Start reading now.
> http://ads.osdn.com/?ad_ide95&alloc_id396&op=click
> _______________________________________________
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
--
Brian Salter-Duke (Brian Duke) [EMAIL PROTECTED]
Post: 626 Melbourne Rd, Spotswood, VIC, 3015, Australia
Phone 03-93992847. http://members.iinet.net.au/~linden1/brian/
-------------------------------------------------------
SF email is sponsored by - The IT Product Guide
Read honest & candid reviews on hundreds of IT Products from real users.
Discover which products truly live up to the hype. Start reading now.
http://ads.osdn.com/?ad_ide95&alloc_id396&op=click
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
