HI Bob,
This is incredible news. The work you and Takanori have done to get to this
point is amazing. As you and Takanori know, because we had hoped to work with
him much more than we could this summer (had to give up a google summer of code
intern), we have been developing the NextGeneration of the Molecular Workbench
to run in HTML5. (Our current landing page: http://mw.concord.org/nextgen and
our "lab" with much more that has not been publicly released
http://lab.dev.concord.org ) We've been trying to figure out how we were going
to get by with chemical structure viewers that were not as functional as Jmol.
GLmol seemed like the one that had the most potential to incorporate and we
were very excited to see the Jmol/GLmol integration work earlier this year.
Many of the activities we've developed using the Java version of Molecular
Workbench bridge the dynamic and static representational modes using our MD
engine and Jmol. The fact that we may be able to bring these activities forward
into the NextGen framework and be able to use the scripts we've already written
is very exciting.
Thank you Bob and Takanori for the great work you have done.
The only issue I could see that could be a wrinkle in our using this
extensively in our materials might be licensing concerns. Our NextGen work is
funded by a grant from Google.org and per our agreement with them anything we
create must be released under pretty broad commercial friendly licenses. The
codebase for NextGen is available under Simplified BSD, MIT, or Apache 2.0, and
we plan to release any activities/interactives we create under the Creative
Commons Attribution 3.0 Unported. Comments or ideas about how we could use Jmol
under these kinds of licensing scenarios?
-Dan Damelin
P.S. Part of the work we've done has been exploring how to use the
computational power of the GPU to accelerate modeling of fluid dynamics.
Perhaps this might be of use in optimizing the calculation of isosurfaces or
energy minimization routines.
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