Subject: Summary: Molecular Modeling Software for Undergraduate Education

From: Arthur Wang <[email-masked]>
Date: Sun, 1 Dec 1996 10:44:22 -0800 (PST)

Dear Netters,

Last week I posted the question: "What is the appropriate modeling 
software for undergraduate education of structural chemistry". Now I have 
received dozens of answers, which are proved to be very valuable. Now 
here is the summary:

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My original question is:

Very fortunately we get the funds that we have long been searching for. 
What we want now is a set of molecular modeling softwares mainly for
undergraduate education. Would you please offer your kind hands to point
out what we should get and where we could get them? 

These softwares are supposed to meet these requirement:  o Run on PCs,
under DOS or WINDOWS. o Free on-line or commercial available. o The most
popular ones. You know there are already so many softwares doing modeling.
Here we want some smart ones like ALCHEMY2000.  o Proper for undergraduate
education. Please focus on structural chemistry. Necessary functions
include:  * 3D structure generation, visualization and manipulation;  *
Quantum mechanics and Molecular mechanics calculation;  * Crystal
structure modeling (inorganic and organic) * macromolecules as well as
small molecules.
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Thank all these netters for their kind help:

Jawahar Swaminathan <[email-masked]>
Robert K. Szilagyi  <[email-masked]>
J. Eric Slone       <[email-masked]>
Jeffrey J Gosper    <[email-masked]>
Clifford Felder     <[email-masked]>
Morten Langgaard    <[email-masked]>
Ross Underhill      <[email-masked]>
Ajit J. Thakkar     <[email-masked]>
N.Ganesh	    <[email-masked]>
Stephanie T.-Nagle  <[email-masked]>
Sri Krishna	    <[email-masked]>
Alan Shusterman	    <[email-masked]>
Dragan Vuckovic	    <[email-masked]>
Joel Polowin	    <[email-masked]>
Janet E. Nelson	    <[email-masked]>
Xiao-Chuan Wang	    <[email-masked]>
Willie Cui	    <[email-masked]>
Li,Songmei          <[email-masked]>
Anil kumar P	    <[email-masked]>
Marys Kolodziej	    <[email-masked]>
Bob Joseph	    <[email-masked]>
Kimberley Cousins   <[email-masked]>
Alexandre Hocquet   <[email-masked]>
Shawn Butler	    <[email-masked]>
Ajit J. Thakkar     <[email-masked]>
Yufeng Wei	    <[email-masked]>
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These following names have been mentioned:

HyperChem: http://www.hyper.com/

Spartan:   http://www.wavefun.com/

AccuModel: http://www.microsimulations.com/

Chem-X: http://www.awod.com/netsci/Companies/CDL/products.html

Chem-3D: http://www.camsci.com/

Alchemy 2000: http://www.tripos.com/

Rasmol and WinPDB, for pdb visualizaion
FREE on line, ftp.pdb.bnl.gov or http://www.pdb.bnl.gov/

Molgen, for DOS platforms
FREE on line, http://www.patriot.net/users/eslone
ftp:\\www.ccl.net\pub\chemistry\software\MS-DOS

Re_view, enable molecular visualization, animation and etc.
FREE on line, http://www.brunel.ac.uk/depts/chem/ch241s/re_view/re_view.htm

hmo10.zip Student Huckel molecular orbital calculator
FREE on line,
http://www.simtel.net/pub/simtelnet/msdos/chemstry/hmo10.zip
ftp://ftp.simtel.net/pub/simtelnet/msdos/chemstry/hmo10.zip
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We will probably make choice between HyperChem, PC-Spartan, AccModel and 
Alchemy2000. In fact, these are the ones that have got the most votes. :-)

Best wishes,

Arthur

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_/   Arthur Wang                     Doctoral Candidate     _/
_/   Molecular Design Lab                                   _/
_/   Institute of Physical Chemistry, Peking University     _/
_/   Beijing 100871, P.R.China                              _/
_/                                                          _/ 
_/   E-mail: [email-masked]                          _/
_/   Tel: 86-10-2751490    Fax: 86-10-2751725               _/
_/   WWW: http://www.ipc.pku.edu.cn/moldes/arthur/home.html _/
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