Subject: Window's MOPAC GRID viewer

From: Jeffrey J Gosper <[email-masked]>
Date: Tue, 2 Apr 1996 14:57:19 +0100 (BST)

Jeff Gosper and Conor McMenamin are pleased to announce the beta-test 
release of a Window's program, named 'GRID'. The program enables the 
results from GRID MOPAC calculations to be analysed and viewed. 
These GRID calculations involve the systematic variation of two 
geometrical parameters to produce an array of chemical structures. 

GRID has been developed by Jeff Gosper and Conor McMenamin as part 
of one of Conor's final year undergraduate research project. 
The program allows various types of 2D-'contour' maps (including
'Feature' maps) to be viewed. These maps are 'live' in that the 
user can then select one, or more, points on
the map and view the corresponding structure(s) in 3D (NB: 
this option requires Re_View, Raswin, or similar viewing software 
to be installed on your computer). The program enables geometrical 
and energy trends to be explored, such that saddle point, minima, 
etc can the be readily located and MOPAC input files
constructed for further optimization/exploration. 

The beta test version of GRID is being freely distributed from 
Re_View's WWW home page:
http://http1.brunel.ac.uk:8080/depts/chem/ch241s/re_view/re_view.htm

We welcome any comments, suggestions, bug reports, etc 
(as Conor would like to quote some comments in his thesis).

Thanks 
Jeff Gosper