Re: [Jmol-users] How can i show the total molecule tegether
Hi. Bob,
Thanks so much for your kindly reply.
The box is 20*20*20.
When I load it with follows command
load "010.xyz" { 1 1 1} spacegroup "P1" unitcell "20.0 20.0 20.0 90 90 90"
It just shows one box.
How can I show more boxes?
Thanks so much!
Houyang
Date: Mon, 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 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
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[Jmol-users] How can i show the total molecule tegether in JMOL? Thanks.
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 i show the total molecule tegether in JMOL? Thanks. Houyang -- The Planet: dedicated and managed hosting, cloud storage, colocation Stay online with enterprise data centers and the best network in the business Choose flexible plans and management services without long-term contracts Personal 24x7 support from experience hosting pros just a phone call away. http://p.sf.net/sfu/theplanet-com___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
