<list>
<molecule>...</molecule>
<molecule>...</molecule>
</list>
A. when <list> has no Jmol-specific attributes all molecules are read an superimposed (how is this done? I assume translated to the common centre of mass but without rotation). This would be useful if the molecules were pre-aligned, but it isn't easy to see individual molecules. Also are bonds made *between* molecules?)
B <list convention="JMOL-ANIMATION"> This is obviously useful for animations of reactions or dynamics.
There seems to be no specific mechanism for viewing a list of molecules sequentially.
A kludge is to add JMOL-ANIMATION and then single-step through the animation which works fine but does not display the identity of the molecule (BTW any display of CML id or title could be very valuable).
If possible I would suggest:
<list>...</list> read in a list of molecules and displayed the first one only (with ID). An additional Extras button could allow single-stepping through the list. There could also be a command to superpose the molecules into a collection. This would have to have options such as (no)rotate, (no)translate and possibly selection of superimposition method.
As people increasingly use multiple data sets this could be a very valuable feature. ("Show me all the molecules in this document" - without spawning an applet for each)
In CMLComp we are addressing the question of multiple views of the same molecule using an inheritance mechanism for (say) coordinates. We would be interested Jmol requirements
P.
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