Subject: Point Group Determination

From: "Leslie Glasser" <[email-masked]>
Date: Fri, 17 Mar 1995 10:04:20 GMT + 2:00

Dear All:

I am attempting to find a program to determine point groups (to be 
used for points on the surface of a sphere, with 100 or more points).

The ideal program would be SYMAPPS (Nedwed, et al., Comp. Chem., 
18(4), 371-6 (1994)).  Unfortunately, this is available only in a 
demo version at present.

There is a module within MOPAC which may do the job - but I am loath 
to have to install the whole program for a small portion, 'using a 
steamroller to crack a walnut'.   I have searched CCL archives and 
find a brief reference to a program Turbomol (of which I know 
nothing).

Can anyone offer a suggestion or a program for my use?
With thanks
Leslie ==============================================================
(Prof.) Leslie Glasser                     Dept. of Chemistry    
E-mail: [email-masked]      Univ. of Witwatersrand     
Tel: Intl + 27 11 716-2070                 P. O. WITS 2050            
Fax: Intl + 27 11 339-7967                 South Africa               
======================================================================