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
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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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