1 Feb 2010 16:04:54 -0600
From: Robert Hanson
Subject: Re: [Jmol-users] How can i show the total molecule tegether
in JMOL? Thanks.
To: jmol-users@lists.sourceforge.net
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What sort of file is it?
You need to load
Hello, everyone,
I got a result of molecules coordinates from simulation.
When i shown it by JMOL, i found part of molecule is in the left side of x
axis in the box; and the other part
is in the right side of x axis in the box.
This is cause by the period bound condition in the simulation.
How can
What sort of file is it?
You need to load the file with symmetry and unit cell and load more than one
unit cell. Something like:
load "caffeine.xyz" {1 1 1} spacegroup "P1" unitcell "10.0 10.0 10.0 90 90
90"
However this does not work with all file types. But that can be fixed...
Bob
On Mon,
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