for example:
40
jmolscript: {*}.color = ["[xff00ff]","[xffff00]","[x00ffff]"...];{*}.radius
= [1.0,2.0,3.0...]
C ... .. ..
O ... ... .. .
N ... ... ..
On Sat, Nov 14, 2009 at 10:38 AM, Robert Hanson <[email protected]> wrote:
> Right, you could include it as an embedded
>
> jmolscript: ......
>
> in the line2 comment
>
> On Fri, Nov 13, 2009 at 10:19 PM, Joe Gatewood <[email protected]> wrote:
>
>> Bob,
>>
>>
>>
>> I looked at the xyz reader code and do not think I can accomplish what I
>> had in mind.
>>
>>
>>
>> My goal was to include the color and radius values in the atom definition
>> line so they got set during model reading. In this use case the number of
>> atoms is not that large so I will just set the color and size after all the
>> atoms have been loaded and I know their indice.
>>
>>
>>
>> Thanks,
>>
>> Joe
>>
>>
>>
>>
>> ------------------------------
>>
>> *From:* Robert Hanson [mailto:[email protected]]
>> *Sent:* Friday, November 13, 2009 8:44 PM
>> *To:* [email protected]
>> *Subject:* Re: [Jmol-developers] set atom color/radius on load
>>
>>
>>
>> Not sure what "during load" refers to, but
>>
>> label %4.0[color] %3.2[vdw]
>>
>> gets you rgb colors and van der Waals radii.
>>
>> label %4.0[color] %3.2[radius]
>>
>> gets you the same with instead the current spacefill radius
>>
>> you can set the atom color using a script:
>>
>> {atomindex=1}.color = "[xFF00FF]"
>> {atomindex=2}.color = "red"
>> {atomindex=1}.color = "[128 0 128]"
>>
>> that sort of thing. Similarly, you can set radii using, for example,
>>
>> {atomindex=33}.radius = 2.0
>>
>>
>>
>> Bob
>>
>> On Thu, Nov 12, 2009 at 2:19 PM, Joe Gatewood <[email protected]> wrote:
>>
>> I have spent some time looking for the syntax to use to set the color and
>> radius of an individual atom at load time.
>>
>> For example in one of my use cases I am building up the model one atom at
>> a
>> time and loading using evalScript("|K 10 3 20|...")
>> Can I set the color and radius of each atom as part of the atom
>> descriptor?
>>
>> I enjoyed the web content (discussion) on Jmol colors. I can set the
>> color
>> with select fine but did not find documentation on setting single atom
>> color
>> during load.
>>
>> Thanks,
>> Joe
>>
>>
>>
>>
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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
>>
>>
>> ------------------------------------------------------------------------------
>> Let Crystal Reports handle the reporting - Free Crystal Reports 2008
>> 30-Day
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>> on
>> what you do best, core application coding. Discover what's new with
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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
>
--
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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trial. Simplify your report design, integration and deployment - and focus on
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