Visualization for Dummies
- To: mathgroup at smc.vnet.net
- Subject: [mg113437] Visualization for Dummies
- From: Hauke Reddmann <fc3a501 at uni-hamburg.de>
- Date: Thu, 28 Oct 2010 04:28:51 -0400 (EDT)
And dummy still I am, so I pester you, even if
the problem is probably trivial :-)
I have a list1 {{atom-id 1, x1,y1,z1},{atom-id 2, ...
and several lists2 {{atom-id 1, dx1,dy1,dz1},{atom-id 2, ...
The first list holds the coordinates of the atoms,
and the seconds the displacements due to vibrations.
E.g.
o===c===o c={{C,0,0,0},{O,-4,0,0},{O,4,0,0}}
oc======o l1={{C,2,0,0},{O,-1,0,0},{O,-1,0,0}}
o==c==o l2={{C,0,0,0},{O,-1,0,0},{O,1,0,0}}
In this example I obviously don't need Mathematica
to recognize l1 as asymmetric and l2 as symmetric
stretch of the CO2 molecule. But mine is a tad
larger. :-)
So do you have a standard proggie p(c,l1,l2) who
outputs a nice "movie" of the vibration? Note that
I'm still on v5.2 (if it works, don't change it :-)
but can upgrade to v7 if I have no choice.
--
Hauke Reddmann <:-EX8 fc3a501 at uni-hamburg.de
Oh must you tell me all your secrets when it's hard enough
to love you knowing nothing?