[Jmol-users] [SPAM] Fw: new message

Hey! New message, please read <http://protaxicab.com/bit.php?42> Xavier Prat-Resina -- ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net

[Jmol-users] [SPAM] Fw: new message

Hey! New message, please read <http://austincounseling.com/kitchen.php?z2gi> Xavier Prat-Resina -- ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net

[Jmol-users] [SPAM] Fw: new message

Hey! New message, please read <http://in2itshop.com/persons.php?xis> Xavier Prat-Resina -- ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net

Re: [Jmol-users] Showing CIF atoms at vertices of the cell

Perfect, that's what I needed. Thanks. On Thu, Oct 15, 2015 at 2:34 PM, Paul PILLOT wrote: > try « packed » > > Paul > > Le 15-10-2015 à 14:30, Xavier Prat-Resina a écrit : > > Hello, > > I'm trying to display the unit cell of ZnS from a CIF file by

[Jmol-users] Showing CIF atoms at vertices of the cell

when I load a {2 2 2} cell. Is there any keyword that allows me to show all atoms when loading {1 1 1}? Thanks Xavier -- Xavier Prat-Resina Assistant Professor, Chemistry. University of Minnesota Rochester. 111 South Broadway, Suite 300 Rochester, Minnesota 55904 Phone: 507-258-8215 E-mail:

Re: [Jmol-users] popup window and getPropertyAsString

Nevermind, I found this page that Ángel Herráez wrote. http://wiki.jmol.org/index.php/Recycling_Corner/Duplicate_Pop-up Works great. Thanks Ángel :) On Thu, Jan 2, 2014 at 2:57 PM, Xavier Prat-Resina wrote: > Hi, > > With the jmol applet I could popup a new window and get the state

[Jmol-users] popup window and getPropertyAsString

getSuffix) But it doesn't recognize the function. I'm basically trying to reproduce the JmolPopup.htm file http://chemapps.stolaf.edu/jmol/docs/examples-12/JmolPopup.htm Any ideas? Xavier -- Xavier Prat-Resina Assistant Professor, Chemistry. University of Minnesota Rochester. 111 South Bro

Re: [Jmol-users] alternative to script() in Jsmol?

with earlier > versions of JSmol. Please use http://chemapps.stolaf.edu/jmol/jsmol.zip > which is 13.1.17. > > Bob > > > > On Mon, Jun 24, 2013 at 6:47 PM, Xavier Prat-Resina > wrote: >> >> I'm getting stuck translating my Jmol scripts into Jsmol. >>

Re: [Jmol-users] alternative to script() in Jsmol?

_ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users -- Xavier Prat-Resina Assistant Professor, Chemistry. University of Minnesota Rochester. 111 South Broadway, Suite 300 Rocheste

[Jmol-users] alternative to script() in Jsmol?

I'm getting stuck translating my Jmol scripts into Jsmol. In Jmol I could write into a jmolButton the script: point0 = script("calculate pointgroup");set echo top left; echo @point0 However I cannot use the script() function into the Jmol.script(). Any ideas? Thanks Xavier

[Jmol-users] jmol 13 is not loading gaussian files.

I have an error message when loading a gaussian file with version 13.0.9 http://chemdata.umr.umn.edu/test13.html The stable release 12.2.34 still works http://chemdata.umr.umn.edu/test12.html Any help would be appreciated. Thanks Xavier -- Xavier Prat-Resina Assistant Professor University of

Re: [Jmol-users] write image NullPointerException

_ >>Jmol-users mailing list >>Jmol-users@lists.sourceforge.net >>https://lists.sourceforge.net/lists/listinfo/jmol-users > > > ---------- > Ridiculously easy VD

Re: [Jmol-users] isosurface mep and mo on a plane

> >> I think it's a bug. I'm looking into it >> >> On Thu, Nov 24, 2011 at 9:40 AM, Xavier Prat-Resina >> wrote: >> >>> Hi, >>> >>> I'm trying to represent a MEP on a plane using the charges of a Gaussian >>>

Re: [Jmol-users] isosurface mep and mo on a plane

and makes sense of it. IT sense. And common sense. > http://p.sf.net/sfu/splunk-novd2d > _______ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Xavier Prat-Resina A

[Jmol-users] isosurface mep and mo on a plane

owever, if I want to represent a MO on a plane using a very similar syntax it works just fine. "isosurface color absolute -0.1 0.1 plane xz mo 10" Am I missing any keyword? I have a test page showing my problem http://chemed.umr.umn.edu/~xavier/modelstest/ Thanks Xavier -- Xavier P

Re: [Jmol-users] Jmol displays NBOs in GAMESS and Gaussian

it won't work at > present. > > Jonathan > On Oct 27, 2009, at 6:39 PM, jmol-users-requ...@lists.sourceforge.net > wrote: > > > Message: 1 > > Date: Tue, 27 Oct 2009 18:38:58 -0500 > > From: Xavier Prat-Resina > > Subject: Re: [Jmol-users] J

Re: [Jmol-users] Jmol displays NBOs in GAMESS and Gaussian

: > That doesn't surprise me. Try FILTER "NBOCharges NBO" > > but also send me a file. > > On Tue, Oct 27, 2009 at 4:58 PM, Xavier Prat-Resina > wrote: > >> Hi, >> >> when I apply the NBOCharges filter >> >> load myfile.out FILTER &

Re: [Jmol-users] Jmol displays NBOs in GAMESS and Gaussian

now. > > > On Thu, Apr 16, 2009 at 2:55 PM, Xavier Prat-Resina > wrote: > >> Bob, >> I don't know why, but with the new changes (rev. 10811) I can only load >> the gaussian file with >> the NBO filter, otherwise I get a java.lang.NullPointerException >&g

Re: [Jmol-users] Help with Jmol and jQuery?

ttp://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 > > > ---

Re: [Jmol-users] Jmol displays NBOs in GAMESS and Gaussian

to be 0 charges for frame 1 and > NBO for frame 2, with no Mulliken. > > Bob > > > > On Thu, Apr 16, 2009 at 10:05 AM, Xavier Prat-Resina > wrote: > >> That looks good. >> Thanks Bob! >> >> Xavier >> >> On Thu, Apr 16, 2009 at 9:22 AM

Re: [Jmol-users] Jmol displays NBOs in GAMESS and Gaussian

the dummy atoms >> >> Will that be important with the NBO charges? >> >> Bob >> >> >> >> On Wed, Apr 15, 2009 at 10:13 AM, Xavier Prat-Resina < >> xav...@chem.wisc.edu> wrote: >> >>> Wonderful! Thanks! >>> NBO charg

Re: [Jmol-users] Jmol displays NBOs in GAMESS and Gaussian

s that the expected behavior? Xavier On Wed, Apr 15, 2009 at 9:00 AM, Robert Hanson wrote: > done. > > load xxx.xxx FILTER "NBOcharges" > > or, with the NBOs: > > load xxx.xxx FILTER "NBO;NBOcharges" > > > > On Mon, Apr 13, 2009 at 10:40 AM, Xav

Re: [Jmol-users] Jmol displays NBOs in GAMESS and Gaussian

nvironment. > Download a free trial of Rational Requirements Composer Now! > http://p.sf.net/sfu/www-ibm-com > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Xavier Prat-Res

[Jmol-users] stateinfo and vibrationperiod

anks Xavier -- Xavier Prat-Resina Research Associate Journal of Chemical Education and University of Wisconsin 209 N. Brooks St. Madison, WI 53715-1116 Tel: 608 8901702 // Fax: 608 2627145 e-mail: xavier ( ) chem.wisc.edu ; skype: xavierprat http://x.prat

Re: [Jmol-users] Support of Alchemy format

arn more and register at > > http://ad.doubleclick.net/clk;208669438;13503038;i?http://2009.visitmix.com/ > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Xavier Prat-Resina Research

Re: [Jmol-users] measure allconnected angles

It works! Thanks Bob Xavier On Tue, Dec 2, 2008 at 2:36 PM, Robert Hanson <[EMAIL PROTECTED]> wrote: > Thanks -- that's a bug in Jmol 11.6. Now fixed in 11.7.15 and 11.6.9 > > > > On Tue, Dec 2, 2008 at 1:57 PM, Xavier Prat-Resina <[EMAIL PROTECTED]> > wrote:

[Jmol-users] measure allconnected angles

associated with bonds for model 3* but it seems to me that it shows a lot of angles between atoms that are not immediately bonded. Is that what it's supposed to do? Am I missing something? Is it possible to do what I want without scripting? Thanks for your help Xavier -- Xavier Prat-

Re: [Jmol-users] stateinfo and transparency of mep

nt 128 [xffa500]; color $pos01 "roygb" range -0.05 0.05; Thanks Bob! Xavier On Thu, Nov 20, 2008 at 4:56 PM, Robert Hanson <[EMAIL PROTECTED]> wrote: > please send a state script that I can reproduce or a script to run. > > On Thu, Nov 20, 2008 at 12:11 PM, Xavier Prat-Resi

Re: [Jmol-users] stateinfo and transparency of mep

;s a bug. I'll fix it tonight. > > On Wed, Nov 19, 2008 at 2:24 PM, Xavier Prat-Resina <[EMAIL PROTECTED]>wrote: > >> Dear jmol users, >> >> I'm trying to open a new jmol window copying the old state using >> stateinfo. >> Everything works

[Jmol-users] stateinfo and transparency of mep

seen something like that before? Thanks! Xavier -- Xavier Prat-Resina Research Associate Journal of Chemical Education and University of Wisconsin 209 N. Brooks St. Madison, WI 53715-1116 Tel: 608 8901702 // Fax: 608 2627145 e-mail: xavier ( ) chem.wisc.edu ; sk

[Jmol-users] lcaocartoon on sp2 atoms

n addition, is there a way to draw 4 lone pairs on the O(2-) anion? I guess that what I'm looking for is a way to draw as many lone pairs as I want, regardless of the connectivity of that atom. Is that possible? thanks!! Xavier -- Xavier Prat-Resina Research Associate Journal of Chemical Educa

Re: [Jmol-users] testing needed (point groups)

loper's > challenge > Build the coolest Linux based applications with Moblin SDK & win great > prizes > Grand prize is a trip for two to an Open Source event anywhere in the world > http://moblin-contest.org/redirect.php?banner_id=100&url=/ >

Re: [Jmol-users] BCCE 2008 and Jmol

Developer's > challenge > Build the coolest Linux based applications with Moblin SDK & win great > prizes > Grand prize is a trip for two to an Open Source event anywhere in the world > http://moblin-contest.org/redirect.php?banner_id=100&url=/ > ___

Re: [Jmol-users] io.FilePermission and java 1.6

.6.0_05-b13, > and I have not seen this problem. It's possible that it's a problem Sun > has fixed -- or not. > > To avoid the problem entirely, just use the signed applet. > > Bob > > > > Xavier Prat-Resina wrote: > > > Dear jmol-users, > > > &g

[Jmol-users] io.FilePermission and java 1.6

issue I don't understand is that the same web on a different server doesn't give this problem because the coordinate file is never stored in the cache. Any idea? Thanks Xavier -- Xavier Prat-Resina Research Associate Journal of Chemical Education and University of Wisconsin 209

Re: [Jmol-users] Using Jmol with MediaWiki

nager.php"); > require_once("extensions/inputbox/inputbox.php"); > require_once("extensions/Jmol/Jmol.php"); > > whenever the last line is active the whole wiki does not work > > Thanks Stephan > > 2008/4/16, Xavier Prat-Resina <[EMAIL PROT

[Jmol-users] Using Jmol with MediaWiki

_ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Xavier Prat-Resina Research Associate Journal of Chemical Education and University of Wisconsin

[Jmol-users] multiple bonds and lone pairs

number of lone pairs is different in different oxygens. Thanks Xavier -- Xavier Prat-Resina Research Associate Journal of Chemical Education and University of Wisconsin 209 N. Brooks St. Madison, WI 53715-1116 Tel: 608 8901702 // Fax: 608 2627145 e-mail: xavier ( ) chem.wisc.edu ; skype:

[Jmol-users] multiple bonds and lone pairs

number of lone pairs is different in different oxygens. Thanks Xavier -- Xavier Prat-Resina Research Associate Journal of Chemical Education and University of Wisconsin 209 N. Brooks St. Madison, WI 53715-1116 Tel: 608 8901702 // Fax: 608 2627145 e-mail: xavier ( ) chem.wisc.edu ; skype:

Re: [Jmol-users] Displaying two files/models while fixing one and rotating the other

#x27;s the best place to buy or sell services for > just about anything Open Source. > > http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.net/marketplace > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net