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