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


>Hi
>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.

>Thanks 

>Tom

>================================================
>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

Steve


---------------------------------------------------------
Dr. Steve Minchin,

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

E-Mail
InterNet:       S.D.Minchin at bham.ac.uk
Janet:          S.D.Minchin at uk.ac.bham

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