On Wednesday 21 May 2003 08:42, Rzepa, Henry wrote:
On Tuesday 20 May 2003 16:43, D.R.Roberts wrote:
It has just come to my attention that Accelrys has withdrawn its excellent free molecular viewing package ViewerLite and now only offers ViewerPro which retails at $299. I would be interested (a) to know the reaction of other users of this software to the news and (b) if there are any alternative freeware applications that offer the same or similar . functionality particularly for viewing crystal lattices.
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An alternative method was to deploy applets, and for this something like the excellent JMol (http://jmol.sourceforge.net) continues to improve (being at version 6. For a deployed example, see both their page and eg http://www.ch.ic.ac.uk/local/organic/tutorial/ir/ ) There are quite a few others; I did summarise a few months ago at http://www.ch.ic.ac.uk/rzepa/talks/author/ . Again applets suffer from the supposition that the author drives how you will view the resulting molecule in the browser.
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None of which of course answers David's original question about viewing crystal lattices. Other than Viewer, I believe Crystalmaker http://www.crystalmaker.co.uk/ is probably the best, but again I think that is commercial with no "Lite" version.
Jmol can display crystal lattices too nowadays. To see this in action, go this this page: http://jmol.sourceforge.net/scripting.html And click estron.cml link just below the second applet window. It will show you a hypothetical (but realistic) molecular crystal of the steroid. Note that Jmol broke up the molecules to put all atoms within the unit cell. (This is optional) kind regards, Egon Willighagen chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)