-- Please consider the environment before printing this e-mail. Dear Keith Refson,
Do you want me to add all the new feature that Bob has introduced in Jmol in J-ICE? http://j-ice.sourceforge.net/ We can show vibrations in a nice way as well as convolute IR, RAman spectra. Let me know Best, Piero Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: [email protected] mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- ________________________________________ From: Keith Refson [[email protected]] Sent: Thursday, September 08, 2011 5:35 PM To: [email protected] Subject: Re: [Jmol-users] Change vibration scale from xyz embedded script Dear Robert, Yes, that has fixed it. Thanks very much for the very rapid response. Just to let you know the context, I am developing scripts to animate the phonon vibrations from CASTEP output. This works by translating into an xyz file, which seems by far the most convenient way of inputting phonon data into JMol. Keith Refson Robert Hanson wrote: > Good. I think I fixed it. See > http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip > > > On Thu, Sep 8, 2011 at 10:01 AM, Keith Refson <[email protected] > <mailto:[email protected]>> wrote: > > This is with Jmol 12.2.2RC5 run as a stand alone application under > Linux. > > Robert Hanson wrote: > > I don't know. Works for me. What version? > > > > > > On Thu, Sep 8, 2011 at 7:10 AM, Keith Refson <[email protected] > <mailto:[email protected]> > > <mailto:[email protected] <mailto:[email protected]>>> wrote: > > > > 2 > > Mode 1, 1026.29 1/cm jmolscript: {load "" {1 1 1} PACKED > unitcell > > {2.573336 2.573336 2.573336 60.000000 60.000000 60.000000}; > vibration > > scale 0; vibration on} > > B 0.0000 0.0000 0.0000 0.0927 0.2005 -0.0564 > > N 1.2867 0.7429 0.5253 -0.0719 -0.1555 0.0438 > > > > > > (note the "vibration scale 0") still produces a vibration > with a scale > > which is clearly non-zero. > > > > > > Is it possible that you are seeing this specifically with the > > application (not the applet) and specifically for the first model > you load? > > Yes, and yes. A second load of the xyz file into the same jmol session > does honour the "vibration scale" command. > > Keith > > > > > > > Keith > > > > > > ------------------------------------------------------------------------------ > > Doing More with Less: The Next Generation Virtual Desktop > > What are the key obstacles that have prevented many mid-market > > businesses > > from deploying virtual desktops? How do next-generation virtual > > desktops > > provide companies an easier-to-deploy, easier-to-manage and more > > affordable > > virtual desktop > model.http://www.accelacomm.com/jaw/sfnl/114/51426474/ > > _______________________________________________ > > Jmol-users mailing list > > [email protected] > <mailto:[email protected]> > > <mailto:[email protected] > <mailto:[email protected]>> > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > > > > > > -- > > Robert M. Hanson > > Professor of Chemistry > > St. Olaf College > > 1520 St. Olaf Ave. > > Northfield, MN 55057 > > http://www.stolaf.edu/people/hansonr > > phone: 507-786-3107 <tel:507-786-3107> > > > > > > If nature does not answer first what we want, > > it is better to take what answer we get. > > > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > > > > ------------------------------------------------------------------------------ > > Doing More with Less: The Next Generation Virtual Desktop > > What are the key obstacles that have prevented many mid-market > businesses > > from deploying virtual desktops? How do next-generation virtual > desktops > > provide companies an easier-to-deploy, easier-to-manage and more > affordable > > virtual desktop > model.http://www.accelacomm.com/jaw/sfnl/114/51426474/ > > > > > > > > _______________________________________________ > > Jmol-users mailing list > > [email protected] > <mailto:[email protected]> > > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > ------------------------------------------------------------------------------ > Doing More with Less: The Next Generation Virtual Desktop > What are the key obstacles that have prevented many mid-market > businesses > from deploying virtual desktops? How do next-generation virtual > desktops > provide companies an easier-to-deploy, easier-to-manage and more > affordable > virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/ > _______________________________________________ > Jmol-users mailing list > [email protected] > <mailto:[email protected]> > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > -- > Robert M. Hanson > Professor of Chemistry > St. Olaf College > 1520 St. Olaf Ave. > Northfield, MN 55057 > http://www.stolaf.edu/people/hansonr > phone: 507-786-3107 > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Doing More with Less: The Next Generation Virtual Desktop > What are the key obstacles that have prevented many mid-market businesses > from deploying virtual desktops? How do next-generation virtual desktops > provide companies an easier-to-deploy, easier-to-manage and more affordable > virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/ > > > > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ Doing More with Less: The Next Generation Virtual Desktop What are the key obstacles that have prevented many mid-market businesses from deploying virtual desktops? How do next-generation virtual desktops provide companies an easier-to-deploy, easier-to-manage and more affordable virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA http://p.sf.net/sfu/rim-devcon-copy2 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
