This is great, my only question regarding Quixote is whether or not J-ICE is
too oriented into crystalographic data. In QChem, not always but at least in
the calculations I am used to doing, there is no unit cell, no periodic
boundary conditions, etc. Just a molecule with no symmetry sitting in the
Piero
This is fantastic. (I haven't had time to visit your site in detail).
Two immediate ways of interacting on Open Source and Open data.
If you want crystallographic data we have 200,000 crystal structures at:
http://wwmm.ch.cam.ac.uk/crystaleye. These are all from the literature. They
are pre
FYI
-- Forwarded message --
From: P.Canepa
Date: Mon, Oct 25, 2010 at 10:09 AM
Subject: [Jmol-users] J-ICE a Jmol interface for crystallographic and
electronic properties
To: "jmol-us...@lists.sourceforge.net"
,
"jmol-develop...@list.sourceforge.net"
Dear all,
I would like to
