[Paraview] Using ParaView to view Xmol format files for atoms and molecules

[Joseph Gorse]

Hello,

I was wondering if anyone else has explored ParaView as a means for 
viewing atomic crystalline structures?  The documentation says that PV 
supports the Xmol format, though it doesn't seem to work in the 
entirety of what I've come to know as the Xmol format in terms of 
animation.  Perhaps this is merely my ignorance speaking in that I 
don't know PV's command for loading the rest of the file into the 
animation scheme that it has... in any case, if anyone knows the answer 
to this dilemma please let me know.

Also, while I'm at it, is there a way to customize the displaying of 
the "atoms" with a database of information concerning the atom?  For 
example, a typical xyz viewer might have this kind of information 
concerning the atoms:

Atomtype atomtypes[] = {
...
{"Si", 1.930, 1.160, "Goldenrod"},
{"Sm", 1.760, 1.760, "Grey"},
...
};

This gives the atom size, minimum distance between two atoms to be 
considered a bond, atom color, etc.  Presently, using the line and dot 
plots in PV lacks the aesthetic that I've been spoiled with in my work. 
  =)

Cheers,
Joe Gorse

PS.  Here is an example of a very simple XYZ file with 4 time steps and 
2 atoms:
### Begin File after this line ###
2
# 1 line of whitespace, we usually put some lattice vector info here.
Si 1.358 1.358 1.358
Si 0.000 0.000 0.000
2

Si 1.358 1.358 1.358
Si 2.716 0.000 2.716
2

Si 1.358 1.358 1.358
Si 2.716 2.716 0.000
2

Si 1.358 1.358 1.358
Si 0.000 2.716 2.716