I think, basically, we figured that no one would ever care for any more
than 0.01 Angstroms precision, but since you seem to be concerned about
that, I'll take a look at it.
On Wed, Sep 22, 2010 at 4:43 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> OK, so that's a bug for sure.
>
> On Wed, Sep 22, 2010 at 1:55 PM, P.Canepa <pc...@kent.ac.uk> wrote:
>
>> Bob,
>>
>> nothing has changed ! I can see the 5 decimal places but not the number
>> 1.9456688. It seems something is rounding the number.
>>
>> Atom #1:Fe1/1 #3
>> Atom #2:O/1 #6
>> Distance Fe1/1 #3 - O/1 #6 : 1.9456688
>> Measurement Information
>> measureCompleted: [Fe1/1 #3, O/1 #6, Fe1 -- O distance = 1.95000]
>> Measurement Information
>> distance 1.95 Fe1 -- O distance = 1.95000 Fe1/1 #3
>> O/1 #6
>>
>> thanks
>> --
>> 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: Wednesday, September 22, 2010 6:36 PM
>> To: jmol-users@lists.sourceforge.net
>> Subject: Re: [Jmol-users] decimal places
>>
>> (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<mailto:
>> 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<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 4:47 PM
>> To: jmol-users@lists.sourceforge.net<mailto:
>> 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><mailto: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><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 4:14 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
>>
>> 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
>> >><mailto: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>><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
>> -----------------------------------------------------------
>> ________________________________________
>> From: Robert Hanson [hans...@stolaf.edu<mailto:hans...@stolaf.edu
>> ><mailto:hans...@stolaf.edu<mailto:hans...@stolaf.edu>><mailto:
>> 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>><mailto:
>> 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>>><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<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
>> >>><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<mailto:pc...@kent.ac.uk
>> >>>>
>> mobile: +44 (0) 7772-9756456
>> -----------------------------------------------------------
>>
>> ------------------------------------------------------------------------------
>> Start uncovering the many advantages of virtual appliances
>> and start using them to simplify application deployment and
>> accelerate your shift to cloud computing.
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>> _______________________________________________
>> Jmol-users mailing list
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>> ><mailto:Jmol-users@lists.sourceforge.net<mailto:
>> Jmol-users@lists.sourceforge.net>><mailto:
>> Jmol-users@lists.sourceforge.net<mailto:Jmol-users@lists.sourceforge.net
>> ><mailto:Jmol-users@lists.sourceforge.net<mailto:
>> Jmol-users@lists.sourceforge.net>>><mailto:
>> Jmol-users@lists.sourceforge.net<mailto:Jmol-users@lists.sourceforge.net
>> ><mailto:Jmol-users@lists.sourceforge.net<mailto:
>> Jmol-users@lists.sourceforge.net>><mailto:
>> 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
>> ><mailto:Jmol-users@lists.sourceforge.net<mailto:
>> Jmol-users@lists.sourceforge.net>><mailto:
>> 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
>> ><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
>
--
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
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