Root mean square distance

100012.1163 at compuserve.com Rainer Stumpe 100012.1163 at CompuServe.COM
Wed Mar 17 14:39:02 EST 1993


To:   >internet:BIOSCI-REQUEST at net.bio.net

Dear Fellow Netters,

MOBY 1.5, a commercial program distributed by Springer-Verlag
should do the job. It reads structures and alows to superimpose
them - even displaying the distances of centers that do not
match. It imports many file formats and also allows for
defining new once - the only limitation is that all information
related to a center has to be in one line.

MOBY has been written by a computational chemist - so it has
everything one would look for. Here is a list of features (but
words cannot substitute for the look and feel):

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
   -  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.

MOBY 1.5 will be demonstrated at the Spring ACS Meeting. Look
for the Springer-Verlag booth. For more information write to:
In North America:
Springer-Verlag New York
Electronic Media Services
c/o Ms. Raye Hazan
175, Fifth Avenue
New York, NY 10010
USA
Phone: (212) 460-1653
Fax:   (212) 473-6272
InterNet: Hazan at SPINT.CompuServe.com

We will have a free interactive demo availbale for download
from our server SVSERV at DHDSPRI6.BITNET. A North America beta
tester is so fond of MOBY, he will set up an account to make
that demo available with ftp (instructions to follow).

Yours Sincerely

Dr. Rainer Stumpe
Chemistry Editorial
Springer-Verlag
Tiergartenstr. 17
D(W)-6900 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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