Re: [Jmol-users] How to save to JVXL both surface and structure

2010-08-22 Thread jaime . prilusky
According to Robert Hanson hans...@stolaf.edu:
 write xxx.zip

Thanks,
Jaim

-- 
 Dr Jaime Prilusky  | jaime.prilu...@weizmann.ac.il
 Head Bioinformatics|
 RD Bioinformatics and Data Management |
 Department of Biological Services  |
 Weizmann Institute of Science  | fax: 972-8-9344113
 76100 Rehovot - Israel | tel: 972-8-9344959

 OCA, http://oca.weizmann.ac.il (the protein structure/function database)
 Proteopedia, http://proteopedia.org (because life has more than 2D)
 

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[Jmol-users] jmolScript() show spin bug?

2010-08-22 Thread Eric Martz
Hello,

I am trying to update the Jmol in my Jmol Tutorial Authoring 
Template (JTAT, http://www.bioinformatics.org/jmol-tutorials/) from 
11.6.RC12 to 12.0.8. I appear to be observing the following anomaly:

When I type show spin into Jmol's console, the report ends with 
spin on when spinning is on, and spin on is simply omitted when 
spinning is off. This is what I expect, and my code uses it to toggle 
spinning in up to 4 concurrent jmols.

However, when jmolScript(exit; spin on;, 1) is executed, the 
report never ends with spin on even when spinning is on. (Thus my 
existing code never toggles spinning off.)

Is this a bug? The report is correct in 11.6.RC12 but not in 12.0.8.

Thanks very much, -Eric


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Re: [Jmol-users] show isosurface

2010-08-22 Thread Eran Hodis
 
Thanks Bob!

Eran



__

From Robert Hanson hans...@stolaf.edu
Sent Sat 8/21/2010 5:45 AM
To jmol-users@lists.sourceforge.net
Subject Re: [Jmol-users] show isosurface


Oh, cool!

print getproperty(modelinfo.models.name (http://modelinfo.models.name))
[list of names]
print getproperty(modelinfo.models.modelProperties.frequency)
[list of frequencies]

Why didn't I think of this before??

Bob

On Fri, Aug 20, 2010 at 9:37 PM, Robert Hanson hans...@stolaf.edu 
(mailto:hans...@stolaf.edu) wrote:
Just added to Jmol 12.1.8:

print getProperty(shapeInfo.isosurface.ID (http://shapeInfo.isosurface.ID))

isosurface1
s2
surface3



That is, if a property happens to be a list of associative arrays (a very 
common thing), then whereas normally you would think you would have to do this:

print getProperty(shapeInfo.isosurface[1].ID)
print getProperty(shapeInfo.isosurface[2].ID)
print getProperty(shapeInfo.isosurface[3].ID)

since Jmol knows isosurface is a list, and .ID only refers to associative 
arrays, we can assume you want the list of IDs of all the isosurfaces. 10 lines 
of code!  :)

Bob







--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr (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.

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Re: [Jmol-users] jmolScript() show spin bug?

2010-08-22 Thread Robert Hanson
On Sun, Aug 22, 2010 at 5:32 PM, Eric Martz ema...@microbio.umass.eduwrote:

 Hello,

 I am trying to update the Jmol in my Jmol Tutorial Authoring
 Template (JTAT, http://www.bioinformatics.org/jmol-tutorials/) from
 11.6.RC12 to 12.0.8. I appear to be observing the following anomaly:

 When I type show spin into Jmol's console, the report ends with
 spin on when spinning is on, and spin on is simply omitted when
 spinning is off.


correct.



 This is what I expect, and my code uses it to toggle
 spinning in up to 4 concurrent jmols.

 However, when jmolScript(exit; spin on;, 1) is executed, the
 report never ends with spin on even when spinning is on. (Thus my
 existing code never toggles spinning off.)


what report is that? Sometimes after the script command is given? Maybe you
need

jmolScriptWait(exit; spin on)

so that Jmol doesn't just cache the script. I bet that's what is happening.




 Is this a bug? The report is correct in 11.6.RC12 but not in 12.0.8.


Hmm. But then why the version difference.

Be more specific about the sequence of events.



 Thanks very much, -Eric



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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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