Re: [Jmol-users] How can i show the total molecule tegether

2010-02-02 Thread houyang chen
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 Message-ID: Content-Type: text/plain; charset="iso-8859-1" What sort of file is it? You need to load

[Jmol-users] How can i show the total molecule tegether in JMOL? Thanks.

2010-02-01 Thread houyang chen
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

Re: [Jmol-users] How can i show the total molecule tegether in JMOL? Thanks.

2010-02-01 Thread Robert Hanson
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,