Re: [Jmol-users] set echo DISPLAY (typo in documentation)
In 11.6, set echo display does not work. set echo myecho 30 30 echo "testing" set echo myecho hidden set echo myecho display script ERROR: invalid argument line 1 command 1 of file null: set echo myecho >> display << On Oct 14, 2008, at 6:11 PM, Robert Hanson wrote: but I changed it. On Tue, Oct 14, 2008 at 5:10 PM, Robert Hanson <[EMAIL PROTECTED]> wrote: Either should work. On Tue, Oct 14, 2008 at 3:18 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote: Hi Bob, In the scripting documentation, the command listed as set echo DISPLAY should read set echo DISPLAYED Frieda /// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com /// /// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com /// - This SF.Net email is sponsored by the Moblin Your Move 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=/ ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net 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 -- 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 - This SF.Net email is sponsored by the Moblin Your Move 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=/___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users - This SF.Net email is sponsored by the Moblin Your Move 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=/___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] set echo DISPLAY (typo in documentation)
but I changed it. On Tue, Oct 14, 2008 at 5:10 PM, Robert Hanson <[EMAIL PROTECTED]> wrote: > Either should work. > > On Tue, Oct 14, 2008 at 3:18 PM, Frieda Reichsman <[EMAIL PROTECTED]>wrote: > >> Hi Bob, >> In the scripting documentation, the command listed as >> set echo DISPLAY >> should read >> set echo DISPLAYED >> >> Frieda >> /// >> >> Frieda Reichsman >> Molecules in Motion >> Interactive Molecular Structures >> http://www.moleculesinmotion.com >> >> /// >> >> >> >> >> >> >> /// >> >> Frieda Reichsman >> Molecules in Motion >> Interactive Molecular Structures >> http://www.moleculesinmotion.com >> >> /// >> >> >> >> >> >> - >> This SF.Net email is sponsored by the Moblin Your Move 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=/ >> ___ >> Jmol-users mailing list >> Jmol-users@lists.sourceforge.net >> 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 > -- 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 - This SF.Net email is sponsored by the Moblin Your Move 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=/___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] set echo DISPLAY (typo in documentation)
Either should work. On Tue, Oct 14, 2008 at 3:18 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote: > Hi Bob, > In the scripting documentation, the command listed as > set echo DISPLAY > should read > set echo DISPLAYED > > Frieda > /// > > Frieda Reichsman > Molecules in Motion > Interactive Molecular Structures > http://www.moleculesinmotion.com > > /// > > > > > > > /// > > Frieda Reichsman > Molecules in Motion > Interactive Molecular Structures > http://www.moleculesinmotion.com > > /// > > > > > > - > This SF.Net email is sponsored by the Moblin Your Move 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=/ > ___ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > 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 - This SF.Net email is sponsored by the Moblin Your Move 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=/___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
[Jmol-users] set echo DISPLAY (typo in documentation)
Hi Bob, In the scripting documentation, the command listed as set echo DISPLAY should read set echo DISPLAYED Frieda /// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com /// /// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com /// - This SF.Net email is sponsored by the Moblin Your Move 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=/___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] isosurface command
That's it.
{*}.partialcharge = {*}.temperature.all
says, "Create an array of temperature data for each atom and assign the
array of partial charges to be that array."
property_temperature would only be used if you had created a
property_temperature data set and were using that.
On Tue, Oct 14, 2008 at 5:49 AM, Frieda Reichsman <[EMAIL PROTECTED]> wrote:
> On Oct 14, 2008, at 4:45 AM, Angel Herraez wrote:
>
> > Frieda, how about
> >
> > {*}.partialcharge = {*}.property_temperature.all
> >
> > ?
>
> Not successful.
>
> OK, it looks like what was needed is
> {*}.partialcharge = {*}.temperature.all
>
> Bob let me know if you still would like to see the file.
>
>
> Frieda
>
>
> -
> This SF.Net email is sponsored by the Moblin Your Move 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
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> ___
> Jmol-users mailing list
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>
--
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
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Re: [Jmol-users] isosurface command
On Oct 14, 2008, at 4:45 AM, Angel Herraez wrote:
> Frieda, how about
>
> {*}.partialcharge = {*}.property_temperature.all
>
> ?
Not successful.
OK, it looks like what was needed is
{*}.partialcharge = {*}.temperature.all
Bob let me know if you still would like to see the file.
Frieda
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Re: [Jmol-users] how to get application to wait for useruseratomselection?
Bob, Rolf,
Thanks for the tips and advice. I've cobbled together a combination of
your code and mine which does the job with a minimum of fuss.
Regards
Steve
From: Robert Hanson [mailto:[EMAIL PROTECTED]
Sent: 10 October 2008 12:41
To: jmol-users@lists.sourceforge.net
Subject: Re: [Jmol-users] how to get application to wait for
useruseratomselection?
Oh, the application! Sorry, I missed that -- right, that last function
was a JavaScript function, for the applet. The application way, with no
additional script file would be:
atomset = {none}
function checkAngle
if (_pickInfo.find("#1:"))
atomset = {none}
end if
atomset = {atomset or (atomIndex=_atomPicked)}
if (_pickInfo.find("#3:"))
print atomset # or do whatever else you want with these
end if
end function
load xxx.pdb
select none
set picking measure angle
set pickCallback "jmolscript:checkAngle"
This way you have the three atoms in a way that you can do anything with
them you want, still within Jmol.
Bob
On Fri, Oct 10, 2008 at 6:15 AM, Rolf Huehne <[EMAIL PROTECTED]>
wrote:
Steven Platt wrote:
> Thanks Rolf,
>
> This works perfectly.
> I was assuming (incorrectly as I know now) that any variables in the
> callback script would be flushed between repeated calls.
>
As far as I remember the "var" keyword makes a variable local. But I am
not sure on that.
Regards,
Rolf
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--
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
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Re: [Jmol-users] isosurface command
Frieda, how about
{*}.partialcharge = {*}.property_temperature.all
?
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