Subject: Re: CCL:Crystal building tools

From: David Gallagher <dgallagher:at:cachesoftware.com>
Date: Thu, 29 May 2003 08:28:26 -0700

Hi Phil,

For building crystals there is a special crystal builder in CAChe complete 
with all 230 space groups. Indeed, the drawing tool was never intended to 
build crystal structures. The crystal builder, which was recently updated 
to handle larger systems, requires only the space group, cell parameters, 
and fractional coordinates, then you can specify as many unit cells as you 
wish. If you send us your crystal data, we'll build the crystal for you and 
send it back in the format you specify.

David Gallagher, Fujitsu.

At 12:05 AM 5/29/2003 -0600, Philip Stortz wrote:
>To help with modeling electronic spectra of crystals, is there a good 
>package out there to build the initial crystal with at least a couple 
>dozen unit cells if i know the crystal structure?  I've tried this with 
>Cache a few years ago, and the drawing tool was not very useful and very 
>painful for building 3d crystals, bonds often wound up in odd places where 
>i didn't mean to put them and it was very hard to view the bonds to see 
>these problems.  Thanks again.
>
>--
>Philip Stortz -- To be nobody but yourself when the whole world is trying 
>its best night and day to make you everybody else is to fight the hardest 
>battle any human being will ever fight. -- E.E. Cummings
>
>
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==============================================
   David A. Gallagher, C. Chem.
   Vice President, Sales and Marketing
   CAChe Group
   Fujitsu America, Inc.
   15244 NW Greenbrier Parkway
   Beaverton, OR 97006-5733, USA
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   email: dgallagher:at:cachesoftware.com
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