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Subject: Re: Models of molecules? -- From: koch@sbchem.sunysb.edu (Stephen A. Koch)
Subject: Re: Models of molecules? -- From: Armel Le Bail
Subject: zeolites -- From: Ken Harding
Subject: Re: X-ray generators -- From: "Eddie H. Snell"
Subject: Laue pattern simulator request -- From: wslboyer@engin.umich.edu
Subject: automatic recognition of symmetry -- From: ptitjean@ccr.jussieu.fr (Michel PETITJEAN)

Articles

Subject: Re: Models of molecules?
From: koch@sbchem.sunysb.edu (Stephen A. Koch)
Date: Tue, 17 Dec 1996 19:52:32 UNDEFINED
In article <595l22$cap@crocus.csv.warwick.ac.uk> msrbb@csv.warwick.ac.uk (N W Alcock) writes:
>Path:
>
>Can anyone provide the name and address of companies that would custom-build
>models of molecules from crystallographic coordinates?
>Nat Alcock
Try Beevers Miniature Models Unit
Chemistry Department
University of Edinburgh
West Mains Road
Edinburgh, EH9 3JJ
This address is several years old
Steve Koch
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Subject: Re: Models of molecules?
From: Armel Le Bail
Date: Thu, 19 Dec 1996 13:20:03 +0100
N W Alcock wrote:
> Can anyone provide the name and address of companies that would custom-build
> models of molecules from crystallographic coordinates?
If virtual models suffice for your needs, try VRML at the 
official IUCr site :
      http://www.unige.ch/crystal/w3vlc/int.vrml.html
You can make models at home, by downloading the software of
your choice, or online at some Virtual World Factories.
    Armel Le Bail - http://fluo.univ-lemans.fr:8001/
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Subject: zeolites
From: Ken Harding
Date: Thu, 19 Dec 1996 09:09:40 -0800
Is there a determinable relationship between pore volume / cage size and
unit cell size w.r.t. zeolites ?  Further can anyone refer me to a
supplier / www site dealing with software for crystallography ?
Thanks in advance !!
Ken Harding
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Subject: Re: X-ray generators
From: "Eddie H. Snell"
Date: 20 Dec 1996 00:04:50 GMT
Milton Stubbs wrote:
> 
>
> so I thought I'd ask y'all out there. What experiences do people have
> with:
> 
> The Siemens generator M06XHF22-H
> 
> The Rigaku generator RU-H3RHB (RU300)
> 
> The Nonius generator FR 591
> 
> All info is welcome!
I would also be interested in the same information.
Eddie H. Snell                     Email eddie.snell@msfc.nasa.gov   
NASA, Code ES76, Bldg 4464,        Phone (205) 544 5570           
Marshall Space Flight Center,      Fax   (205) 544 9305  
Huntsville, Al 35812. USA.                                          
Heisenberg was probably here.
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Subject: Laue pattern simulator request
From: wslboyer@engin.umich.edu
Date: 20 Dec 1996 03:14:03 GMT
Can anyone recommend a program that will calculate a Laue pattern from
input crystal data (like define atom types and positions in unit cell; define 
cell type and lattice parameters) and orientation.  Am most interested in 
a program that would run on a Mac or PC.  Nice graphics output would be
a big plus.
Thanks,
William Boyer (wslboyer@umich.edu)
        materials science graduate student in nuclear engineering at 
        the University of Michigan
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Subject: automatic recognition of symmetry
From: ptitjean@ccr.jussieu.fr (Michel PETITJEAN)
Date: 20 Dec 1996 10:44:26 +0100
Is there an algorithm which does the following:
 Input: read n 3-dimensional points xi,yi,zi , i=1..n
 Output: answer YES or NO to the question "does the set have
         a symmetry center ?"
Same question for other symmetry elements: mirror,direct k-order
rotation axis,k-order rotation-reflexion axis?
Note:I need the bibliographic references of the methods,not the
location of the programmes.
Michel Petitjean,                     Email: petitjean@itodys.jussieu.fr
ITODYS (CNRS, URA34)                         ptitjean@ccr.jussieu.fr
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