Subject: PES and structure software

From: Jeffrey J Gosper <[email-masked]>
Date: Tue, 28 Jan 1997 08:03:34 GMT

Dear all,

I am interested in locating software pacakges (both free and 
commerical) that provide a facility for displaying potential energy 
surfaces (probably as contour maps) and link these to chemical structures. 
That is, the software must included the ability to pick/locate points on 
the potential energy surface and display the structures associated with 
these points.

I am aware that GridView and CAChe are able to this but what about SPARTAN 
or other programs. Any information would be greatly appreciated.

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 Dr. Jeff Gosper                                         
 Dept. of Chemistry                                     
 BRUNEL University                                     
 Uxbridge Middx UB8 3PH, UK                            
 voice:  01895 274000 x2187                            
 facsim: 01895 256844                                  
 internet/email/work:   [email-masked]     
 internet/WWW: http://www.brunel.ac.uk/~castjjg 
 Re_View's Home page (A molecular display/animation/analysis program):
   http://www.brunel.ac.uk/depts/chem/ch241s/re_view/re_view.htm
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