Subject: Molecular modelling software in education: recommendations?

From: John Marelius <[email-masked]>
Date: Wed, 10 Mar 1999 16:31:03 +0100 (W. Europe Standard Time)

Dear CCL members,

I teach a course in molecular and statistical mechanics for third-year
biotechnology students. Until now the students have used Insight II from
MSI for the computer exercises, but now I am looking into what other
software packages could be used. I would appreciate if you would share
any experience you have with other packages, particularly in an
undergraduate course context.

The exercises contain
* visualisation of proteins
* building small molecules and peptides
* energy minimisation
* conformational search
* molecular dynamics of small molecules and proteins with explicit solvent
* free energy perturbation simulations
* receptor-ligand docking and scoring

I would prefer a package which runs on one or more of MS Windows NT,
Linux or Sun Solaris.

I will be happy to summarise the responses to the list.

regards,

John Marelius

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|          John Marelius                                          |
|          Dept. of Molecular Biology, Uppsala University         |
| E-mail:  [email-masked]                             |
| phone:   +46 18 4714988, fax:  +46 18 536971                    |
| address: Box 590, S-751 24 Uppsala, Sweden                      |
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