On Wed, Dec 16, 2009 at 4:19 PM, Jeff Hansen <[email protected]> wrote:

> Jmol is modular already is it not?  As it stands now only portions of Jmol
> are loaded initially then others as needed.  Am I right about that?
>

yes, that is correct -- provided you load JmolApplet0.jar (default) and not
JmolApplet.jar.


>  If so it seems these graphing features could be pulled out and packaged
> together.  Then if Jmol needs them they can be loaded.
>

Exactly. It's all automatic. Right now there's nothing in there that isn't
directly related to molecular visualization, but something like a
specialized axis or bounding box with tics could certainly go in its own
little package that only those drawing 3D plots would load. (Or would axes
or a bounding box with Angstrom markings and changeable labels be useful in
molecular graphics? Perhaps.... I could imagine that.)


>  If Sage or anyone else wants to use that portion of Jmol or any other part
> they ought to be able to do that without necessarily having to use all of
> Jmol.  This could be spun off as a new SourceForge project as Bob suggested
> and still be used by Jmol.  As Tom said, it may prove useful in unexpected
> ways.  Starting a new SourceForge project would not preclude continuing to
> use it in Jmol.
>

True. If Jmol forms the basis for some project that specializes in
mathematical graphing, there is nothing wrong with that. That's what open
source is all about. In fact, we've worked hard to make it modular; it
wouldn't take much at all to give Jmol a totally new use. Actually,
amazingly simple. What tends to happen, though, I think, is that after
splitting, mutations start occurring, evolution continues, and pretty soon
you have two species that can no longer mate, so to speak. Still, it could
go that way.





> Jeff
>
>
> ***********************************************
> Jeff Hansen
> Department of Chemistry and Biochemistry
> DePauw University
> 602 S. College Ave.
> Greencastle, IN 46135
> [email protected]
> ***********************************************
>
>
> On Dec 16, 2009, at 3:44 PM, Thomas Stout wrote:
>
>
> While the plotting functionality may not be directly molecular-centric, I
> don't see how it detracts from Jmol.  If the program were to become
> "bloat-ware" then yes, of course, that's a problem.  For the moment it seems
> to be constrained within the bounds of scientific functionalities that many
> of us will use and/or be interested in.  I think having flexible 3D surface
> descriptors and routines may prove to be very useful in ways that may not be
> fully appreciated as yet -- I'd vote for keeping it all in one package for
> the time being!
>
> -Tom
>
>
>
> On Wed, Dec 16, 2009 at 12:22 PM, Robert Hanson <[email protected]>wrote:
>
>> Rich,
>>
>> Good point.
>>
>> Yes, yes. I was just thinking the same thought this morning myself. It's
>> nice that the Sage community has caught on to how useful Jmol is for general
>> surface display. If the Jmol  community, though, feels that displaying data
>> in graphical form is outside the bounds of the project, they should speak
>> up, and a new SourceForge project could be started that starts with what we
>> have in Jmol but pulls out all the molecular business and focuses on the
>> mathematical.
>>
>> So far all the additions that have helped Sage have also been a benefit
>> for general molecular surface drawing -- the ability to draw contours,
>> better mesh drawing, consolidation in code of pmesh and isosurface. These
>> are all modifications that have helped all.
>>
>> But I agree, the business with axes and tics and such is pretty far afield
>> of the core Jmol mission.
>>
>> Bob
>>
>>
>>
>> On Wed, Dec 16, 2009 at 1:01 PM, <[email protected]> wrote:
>>
>>> As interesting as it is to plot stuff I really don't see the purpose of
>>> putting time and effort into making Jmol a generic 3D plotting program.
>>> Maybe if its abilities and interface were perfected for plotting
>>> molecules
>>> (large and small) then there might be some impetus to create Jplot (or
>>> something) to be able to plot any 3D surface with intelligent tic marks
>>> and axis selection etc.
>>>
>>> Rich
>>>
>>>
>>>
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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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-- 
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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