mac/pc mol modeling

[Jim Naylor]

In article <Du8A0B.AFv at midway.uchicago.edu>,
aekentsi at woodlawn.uchicago.edu (alex emil kentsis) wrote:

> hi,
> 
> i am looking for a mac or pc program to do molecular modeling of small
> organics (20 carbons and some heteroatoms). all i need the program to do
> is visualize the molecules for me, allow me to do some torsional and
> translational motions on them, and be able to print the output.
> a plus would be the ability to do energy-minimization calculations.
> i need this extremely urgently. can someone point me to such a program?
> 
> thanks very much,
> alex kentsis.

Alex et al,

You might find this quote interesting:

> Date: Fri, 05 Jul 1996 15:39:21 -0600
> From: jnaylor at southwind.net (Jim Naylor)
> Subject: FYI: modeling software
> 
> For your "filed but not forgotten" list,  this "tidbit" quoted from the
> Macway list.
> 
> > <foote at chem.ucla.edu> (Chris Foote)
> > 
> > Just thought Evangelistas might like to see a benchmark of a PM 8500/120 
> > running scientific chemical modeling software (extremely computation 
> > intensive) and beating a 174 MHz Silicon Graphics Indigo.
> > 
> > I've seen other benchmarks putting it just behind the wicked fast DEC 
> > alpha workstation. Running the semiempirical AM1 program (email me for 
> > details) on an arbitrarily selected 6-carbon lactone, arbitrarily 
> > distorted, times to convergence:
> > 
> > 8500/120: computation time 35.0 CPU sec SGI INDY 174MHz R4400SC Processor 
> > 36.15 CPU sec
> 
> ________________
> 
I believe the software referred to is a new beta release of Chem 3D.

-- 
Jim Naylor                             jnaylor at southwind.net
Wichita KS