Re: CCL:Fixing coordinates

From: A J Turner <chpajt(-(at)-)bath.ac.uk>
Subject: Re: CCL:Fixing coordinates
Date: Thu, 3 Apr 1997 10:59:17 +0100 (BST)

 Hi!
 This can be done using xmol.
 Read in structure
 Write out as Mopac input
 Read in as mopac input
 Write out as xyz
 Now you have you fixed structure with atoms 1 and 2 on the x axis.
 If you require other atoms than 1 and 2, then use the transform function
 in xmol.
 Best wishes
 Alex
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 |Alexander J Turner         |A.J.Turner(-(at)-)bath.ac.uk                  |
 |Post Graduate              |http://www.bath.ac.uk/~chpajt/home.html|
 |School of Chemistry        |+144 1225 8262826 ext 5137             |
 |University of Bath         |                                       |
 |Bath, Avon, U.K.           |Field: QM/MM modeling                  |
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