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molecular modeling in pc

100012.1163 at compuserve.com Rainer Stumpe 100012.1163 at CompuServe.COM
Tue Jan 18 19:22:54 EST 1994


To:   >internet:bio-soft at net.bio.net

Dear Mr. Guillermo Mulliert Carlin,
The program MOBY, distributed by Springer-Verlag might be
exactly what you are looking for.

MOBY is a molecular modelling program for IBM-PC-compatible
personal computers. MOBY offers an extensive range of
modelling functions:

   -  Display of up to 2000 centers
   -  Fast 3D graphics
   -  Independent manipulation of freely-definable
      fragments
   -  Structure comparison
   -  Property comparison
   -  Force field calculations on up to 150 centers
      interacting        with up to 2000 other centers
   -  Geometry optimization
   -  Conformational analysis
   -  Molecular dynamics simulation
   -  Extensive tools for the energy analysis of
      structures
   -  Quantum chemical calculations based on the
        semi-empirical  MNDO and AM1 methods
   -  Display of:
    - IR spectra and normal coordinates
    - UV/Visible spectra
    - Molecular orbitals
    - Isopotential surfaces for electrostatic potentials
   -  Freely-definable format for reading non-MOBY
      geometry data
   -  Library of important structures and their
      geometries, including amino acids
   -  Construction and maintenance of an individual
      structure
      library
   -  On-line help
   -  PROTOCOL mode for recording a program session
   -  DEMO mode for re-running a previously recorded
      program session

This latest version, MOBY 1.5, is for IBM-PC-compatible
personal computers with the following minimum specifications:
   -  640 kb errandom access memory (530 kb free)
   -  80x87 arithmetic coprocessor
   -  graphics adapter: Hercules, EGA, or VGA (1024x768
      maximum)
   -  a mouse and
   -  a hard disk are strongly recommended
      running under MS-DOS version 2.0 or later.
Since MOBY requires 530 kB of random access memory to be free,
MS-DOS Version 4.0 is not a good choice; MS-DOS 5.0 is strongly
prefered.

You can get a free interactive demo from
SVSERV at VAX.NTP.SPRINGER.DE (send the commands HELP and DIRALL
each on a separate line in the body of your message to that
address) or by anonymous ftp TRICK.NTP.SPRINGER.DE,
(192.129.24.12).

Yours Sincerely
Dr. Rainer Stumpe
Chemistry Editorial
Springer-Verlag
Tiergartenstr. 17
D-69121 Heidelberg
Phone: +49-(0)6221-48 73 10
Fax:   +49-(0)6221-41 39 82
INTERNET:stumpe at spint.compuserve.com





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