(Bob, please, not Rob... Some Roberts are "Rob" but not me!)
On Wed, Sep 22, 2010 at 8:32 AM, P.Canepa <pc...@kent.ac.uk> wrote:
> Dear Rob,
>
> Why do I get this ? when I use something like that
> jmolScript('showSelections TRUE; select none; label on ; set picking on;
> set picking DISTANCE; set picking SELECT atom;');
> jmolScript("measure ON; set measurements ON; set showMeasurements ON; set
> measurements " + getbyID('measureDist').value + "; set picking MEASURE
> DISTANCE; set MeasureCallback 'measuramentCallback'; ;");
> jmolScript('set defaultDistanceLabel "%a1 -- %a2 distance = %.5VALUE');
>
>
>
> function measuramentCallback(a, b, c , d, e ){
> setValuebyID("textMeasure", b);
> }
>
>
> Distance O/1 #8 - Fe/1 #1 : 1.9456692
> 1.95 Å ??
>
> I would like to see 1.9456692 or something similar in my text box
> textMeasure?
>
> How come ?
>
>
Because you have not defined
set defaultDistanceLabel "%10.7VALUE"
Why do you think those extra digits are significant, by the way?
> Thanks, Piero
> --
> Please consider the environment before printing this e-mail.
>
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: pc...@kent.ac.uk
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
> ________________________________________
> From: Robert Hanson [hans...@stolaf.edu]
> Sent: Tuesday, September 21, 2010 4:47 PM
> To: jmol-users@lists.sourceforge.net
> Subject: Re: [Jmol-users] decimal places
>
> 1) -- measurement labels:
>
> I'm pretty sure
>
> set defaultDistanceLabel "%.5VALUE %UNITS"
>
> would report that value to five decimal places.
>
> 2) -- manipulating or working with fractional coordinates -- lots of
> options there:
>
> print {*}.fz.all
>
> print {*}.label("%8.5[fxyz]")
>
> {atomno=3}.fx = 1
>
> {*}.fx = 0 # flatten the whole model!
>
> {atomno=3}.fxyz = {0.5 0.5 0.5}
>
> Do a search for "fractional" in the documentation and you will find all
> sorts of things like this, I think.
>
> Bob
>
>
> On Tue, Sep 21, 2010 at 10:37 AM, P.Canepa <pc...@kent.ac.uk<mailto:
> pc...@kent.ac.uk>> wrote:
> 1) Yes I came across this command before but this just but I didn't use it
> because it just increment the number of 0 and doesn't add anything more than
> that? is there any keyword to make the measure more accurate?
>
> 2) if I have my fractional coordinates and I want to operate just on one of
> these how can i Do ? let say I want to alternate all my fZ in one shot ?
>
> Thanks, Piero
> --
> Please consider the environment before printing this e-mail.
>
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: pc...@kent.ac.uk<mailto:pc...@kent.ac.uk>
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
> ________________________________________
> From: Robert Hanson [hans...@stolaf.edu<mailto:hans...@stolaf.edu>]
> Sent: Tuesday, September 21, 2010 4:14 PM
> To: jmol-users@lists.sourceforge.net<mailto:
> jmol-users@lists.sourceforge.net>
> Subject: Re: [Jmol-users] decimal places
>
> set defaultDistanceLabel "format"
>
> Sets the format of the labels for distance measurements<
> http://chemapps.stolaf.edu/jmol/docs/?ver=12.0#measure>.
>
>
> set defaultAngleLabel "format"
>
> Same as for defaultDistanceLabel, but for angles.
>
>
> set defaultTorsionLabel "format"
>
> Same as for defaultDistanceLabel, but for torsions.
>
>
> Also:
>
> http://chemapps.stolaf.edu/jmol/docs/?ver=12.0#measure
>
> That section describes the format itself:
>
> measure "n:labelFormat"
>
> Changes all previously defined measurement labels of a given type (n = 2,
> 3, or 4) to the indicated format. The default label is "%VALUE %UNITS" for
> all types. Also available is %#(percent number-sign), which gives the
> 1-based number of the measurement. Atom information can be included as for
> labels<http://chemapps.stolaf.edu/jmol/docs/?ver=12.0#label>, adding 1 or
> 2 to the format code to indicate which atom. So, for example, set
> defaultDistanceLabel "%a1 -- %a2 distance = %0.0VALUE" delivers the two atom
> names along with the value of the measurement rounded to the nearest integer
> with no units indicated.
>
>
>
>
> On Tue, Sep 21, 2010 at 9:32 AM, P.Canepa <pc...@kent.ac.uk<mailto:
> pc...@kent.ac.uk><mailto:pc...@kent.ac.uk<mailto:pc...@kent.ac.uk>>>
> wrote:
> Thanks
>
> but how they act on the measure ? should I put something like
> measure.label[] ?
> --
> Please consider the environment before printing this e-mail.
>
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: pc...@kent.ac.uk<mailto:pc...@kent.ac.uk><mailto:pc...@kent.ac.uk
> <mailto:pc...@kent.ac.uk>>
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
> ________________________________________
> From: Robert Hanson [hans...@stolaf.edu<mailto:hans...@stolaf.edu><mailto:
> hans...@stolaf.edu<mailto:hans...@stolaf.edu>>]
> Sent: Tuesday, September 21, 2010 1:32 PM
> To: jmol-users@lists.sourceforge.net<mailto:
> jmol-users@lists.sourceforge.net><mailto:jmol-users@lists.sourceforge.net
> <mailto:jmol-users@lists.sourceforge.net>>
> Subject: Re: [Jmol-users] decimal places
>
> label %8.5x
>
> label %8.5[partialCharge]
>
> all the following are meaningful -- check LABEL in the documentation (which
> I just revised, since it didn't do a good job of describing this):
>
> %x.y
> %-x.y
> %x.-y
> %-x.-y
>
> Bob
>
> On Tue, Sep 21, 2010 at 4:31 AM, P.Canepa <pc...@kent.ac.uk<mailto:
> pc...@kent.ac.uk><mailto:pc...@kent.ac.uk<mailto:pc...@kent.ac.uk
> >><mailto:pc...@kent.ac.uk<mailto:pc...@kent.ac.uk><mailto:
> pc...@kent.ac.uk<mailto:pc...@kent.ac.uk>>>> wrote:
>
> Dear all,
>
> do you know how to set the number of decimal places when I set : set
> picking MEASURE DISTANCE or ANGLE etc ?
> should this command be followed by this ? label [%.5x] ?
>
> Thanks, Piero
>
> --
> Please consider the environment before printing this e-mail.
>
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: pc...@kent.ac.uk<mailto:pc...@kent.ac.uk><mailto:pc...@kent.ac.uk
> <mailto:pc...@kent.ac.uk>><mailto:pc...@kent.ac.uk<mailto:pc...@kent.ac.uk
> ><mailto:pc...@kent.ac.uk<mailto:pc...@kent.ac.uk>>>
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
>
> ------------------------------------------------------------------------------
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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
>
>
> ------------------------------------------------------------------------------
> Start uncovering the many advantages of virtual appliances
> and start using them to simplify application deployment and
> accelerate your shift to cloud computing.
> http://p.sf.net/sfu/novell-sfdev2dev
> _______________________________________________
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net<mailto:Jmol-users@lists.sourceforge.net
> ><mailto:Jmol-users@lists.sourceforge.net<mailto:
> 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
>
>
> ------------------------------------------------------------------------------
> Start uncovering the many advantages of virtual appliances
> and start using them to simplify application deployment and
> accelerate your shift to cloud computing.
> http://p.sf.net/sfu/novell-sfdev2dev
> _______________________________________________
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net<mailto: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
>
>
> ------------------------------------------------------------------------------
> Start uncovering the many advantages of virtual appliances
> and start using them to simplify application deployment and
> accelerate your shift to cloud computing.
> http://p.sf.net/sfu/novell-sfdev2dev
> _______________________________________________
> 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
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