Subject: GAMESS property calculations and visualization

From: Jeffrey J Gosper <[email-masked]>
Date: Tue, 15 Oct 96 13:49:01 0100

Dear computational chemists,

I am currently developing a program, called Re_View3, which is able to 
(amoungst other things) display molecular orbitals. I am currently 
working on interfaces for MOPAC graph and G94 cube files (the latter has 
recently been a subject of interest amougst this list). I am now 
wondering whether the molecular property calculations that GAMESS can 
perform will provide data that can be visualized using Re_View3. 
Therefore, can anyone tell me whether GAMESS can output these molecular 
properties on a regular set of grid points surrounding a molecule (in a 
similar fashion to G94's cube)? 

Also I would welcome collaboration with someone who has experience in 
performing such calculations. So, if your interested in visualizing the 
molecular properties calculated by GAMESS, and fall into the above 
category, please contact me.

Further information about Re_View, Re_View2, and Re_View3 see URL

http://www.brunel.ac.uk/depts/chem/ch241s/re_view/re_view.htm

/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ 
 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://http1.brunel.ac.uk:8080/~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 
\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/