Point Group Determination
- From: "Leslie Glasser" <GLASSER(-(at)-)AURUM.CHEM.WITS.AC.ZA>
- Organization: CHEMISTRY - WITS UNIVERSITY
- Subject: Point Group Determination
- 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: glasser(-(at)-)aurum.chem.wits.ac.za Univ. of Witwatersrand
Tel: Intl + 27 11 716-2070 P. O. WITS 2050
Fax: Intl + 27 11 339-7967 South Africa
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