Miguel wrote:
My impression is that MolScripts and Raster3D or Pov-Ray are one of the
most common mechanisms for making publication quality images.
Basic PovRay support is built into the Jmol application.
Secondary schematic structures are not currently supported.
Basically, we need someone with significant PovRay expertise to take the
lead in this area and flesh out the functionality.
If no one else is interested in working on this, I could give a try at
the PovRay part to do the drawing.
BUT, I am not familiar enough with the inner structures used by Jmol to
extract the informations needed for the PovRay output.
Basically, if anyone can tell for each secondary structure type, that
would help a lot :
- how do I get the list of visible structures (Java methods)
- what kind of shape is used
- how do I get the attributes of the drawing: points used for drawing
splines, colors, sizes, transparency, ... (Java methods)
- simple examples (datafile + script) to show this type of structure.
I could start with the simplest structure
(A few months ago, I have coded a few things for trace/polymer support).
I am not sure that the current JmolViewer api gives access to enough
information to create the output.
PovraySaver uses org.jmol.api.JmolViewer.
Nicolas
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