Subject: analyzing molecular systems

From: "RAINER MALLON" <[email-masked]>
Date: Mon, 22 Nov 1993 15:56:08 MET-1

Dear Netters !

Thinking about analyzing a given molecular system the first step that 
has
to be made is representing it, so that it can be dealt with.  Systems I
think would be pretty much interesting to analyze are :

1. single molecules
   a. small molecules
   b. periodical molecules
   c. single polymeric molecule

2. molecular systems
   a. molecular systems made up of molecules of only one type
   b. molecular crystals
   c. a single molecule in an environment of others
   d. molecules in solvations

Setting up a single molecule should be pretty easy. Theres an origin of
construction and a global or serveral local coordinate systems. But 
when
it comes to the description of molecular systems - how are they set up 
?
How is an environment of molecules represented ? What way are 
molecules in
solvation described ?

Greetings,
       RaMa.
+---------------------------------+------------------------------------------+
|     Rainer "RaMa" Mallon        |       [email-masked]        |
|  University of Ulm, Germany     |     [email-masked]      |
| Department of Applied Physics   |            +49-731-502-2941              |
+---------------------------------+------------------------------------------+