Molecular Modelling on a PC

Steve Minchin S.D.Minchin at bham.ac.uk
Tue Jun 21 09:57:43 EST 1994

In article <2thush$16i at mercury.hgmp.mrc.ac.uk> t-flores at nimr.mrc.ac.uk (Tom Flores) writes:
>Path: bham!warwick!doc.ic.ac.uk!hgmp.mrc.ac.uk!nimr.mrc.ac.uk!t-flores
>From: t-flores at nimr.mrc.ac.uk (Tom Flores)
>Newsgroups: bionet.software
>Subject: Molecular Modelling on a PC
>Date: 13 Jun 1994 15:44:17 GMT
>Organization: National-Institute-for-Medical-Research
>Lines: 21
>Distribution: world
>Message-ID: <2thush$16i at mercury.hgmp.mrc.ac.uk>
>NNTP-Posting-Host: nimsn43.nimr.mrc.ac.uk
>Keywords: Molecular Modelling PC

>I am posting this query on behalf of a colleague who is relatively
>new to the world of PCs. He would like to know of any PC program
>for molecular modelling of smallish (300-400MWT) molecules, including
>energy minimisation. I had a quick check of previous messages but
>didn't find any programs. Both free and  commercial are of interest
>along with any comments you have about each program. I'll post a
>summary if I get a reasonable response.



>Dr Tom Flores        Tel:+44-(0)81 959 3666x2299
>NIMR                      Fax:+44-(0)81 913 8545
>Mill Hill          Email:t-flores at nimr.mrc.ac.uk
>London NW7 1AA
>UK                         "FLAMES >> /dev/null"

Hi Tom,

There are several programs for Molecular Modelling on PC. I don,t know if all 
three allow energy minimisation.

1) Desktop Molecular Modeller (DTMM) for Windows from Oxford University Press 
- Electronic Publishing. This is obviously a Commercial Package which does do 
Energy Minimisation.

2) Nemesis for Windows  from Oxford Molecular. This is a commercial Package. I 
don't know if this progran does energy minimisation.

3) Rasmol (RasWin). This is freeware. Available from ftp.dcs.ed.ac.uk. I don't 
think this program does energy minimisation. Be careful to download the 
windows version.

There are education prices, if not CHEST deals, for both DTMM and Nemesis.

All the best


Dr. Steve Minchin,

School of Biochemistry, The University of Birmingham,
Edgbaston, Birmingham, B15 2TT, U.K.

InterNet:       S.D.Minchin at bham.ac.uk
Janet:          S.D.Minchin at uk.ac.bham


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