I am investigating the possibility of replacing my existing Java
molecular orbital visualization program (which currently uses Java3D)
with an application built around the JMolViewer component of
JMol. However, since I already have existing code to calculate the
orbitals and several derived properties, as well as an existing file
format, etc., I would like to use JMolViewer at relatively low
level. Specifically,
1) Programmatically add atoms and bonds
2) Programmatically add isosurfaces, including the possibility of
mapping properties onto the isosurface
From looking through the source code, it looks like #1 is possible
view the Frame.addAtom()/addBond() subroutines. However, I can't
seem to find an equivalent method for adding isosurfaces (using a
precalculated grid of data).
Does what I am proposing seem feasible? The required methods don't
seem to exist directly in the API, so I imagine that this would
require a little work. I would appreciate any guidance that you may
be able to offer.
Sincerely,
JR Schmidt
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