Subject: Summary: isosurface

From: Krzysztof Radacki <[email-masked]>
Date: Wed, 07 Jul 1999 12:18:29 +0200

Hello all,
below are answers that I received for my question:

Can somebody sugest me free or working-demo program that can plot 
3d-isosurfaces from discrete data (not just functions)? The best
would be if I could choose value of F(x,y,z) that I want to plot.

Martin Leboeuf <[email-masked]>
---------------------
Look at VU : http://www.cerca.umontreal.ca/vu. It works with
data and functions.

"Tatyana E. Shubina" <[email-masked]>
----------------------------
What do you think about HyperChem 5.0?

Fuad Abdallah <[email-masked]>
--------------------
you could try to use vtk to produce the isosurface plots you are
interested in. It has got many interesting features and interfaces to
tcl/java/python/c++ but you would have to implement the application
yourself because it is mainly a set of libraries.
You can find more informations at
http://www.kitware.com/vtk.html

Another very interesting option would by IBM's dataexplorer. It has
all the functionality you need, a brilliant graphical
interface for constructing the visualization pipeline and it is free. You
can find more information at
http://www.research.ibm.com/dx/

Thorsten Klein <[email-masked]>
---------------------
I think that gnuplot 3.7 is able to fit for this task. it is a lot of
command-line working, but it generates very nice graphs and has a great
data-parsing ability.

http://ntfreeware.zdv.uni-tuebingen.de/NTSOFT/UG010017.htm#364
as a possible starting point.

Lev Gorenstein <[email-masked]>
----------------------
Looks like gnuplot is what you need.  Take a look at
http://www.cs.dartmouth.edu/gnuplot_info.html.  The program is
_very_ powerful.

If all you need is to plot the stuff from a data table (rather than
an analytical expression), you could use the nice program PlotMTV
(available for download from many places, e.g.  
http://aixpdslib.seas.ucla.edu/plot-tools/plotmtv4.html , see an
overview at http://www.vis.colostate.edu/software/plotmtv/ ).  In
my work I use PlotMTV a lot with a separate program that generates
the proper data file.

"David F. Green" <[email-masked]>
-----------------------
RLaB should be able to do what you want.  It's a math program with
strong matrix capabilities available under the GNU Public License (it's
not really a Matlab clone, but alot of the syntax, etc. is Matlab-like,
and it is a matrix-math program).  You can find out more at the
homepage:
http://www.eskimo.com/~ians/rlab.html
I run it under Linux, but it should be fine under any system running X. 
If you run KDE with Linux, there is also a new (functional but still
being developed) extension available for the GUI.  It's called KLab and
can be found at: 
http://www.chaos.umd.edu/~dsweet/KDE/KLab/
I hope this helps.

Ryszard Czerminski <[email-masked]>
---------------------------
Try also http://root.cern.ch

Richard Gillilan <[email-masked]>
---------------------
Check out this web site: OpenDX.org

Alexander Klinsky <[email-masked]>
-------------------------
Search the net for DrawP3D !

I would like to thank for all answers. From my side I want to add ChemPlus
(add-on for HyperChem) - it can produce molecular orbitals but use very
easy to hack format (start-xyz, grid-size, grid-step and than valuse
through awhole grid). One can insert his own values, which can have nothing
to do with electron density of orbitals.

regards

      Krzys Radacki
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