Now you can get Molgen by downloading it from CCL archives
free!!!
Jan Labanowski
jkl@ccl.net
> From eslone@patriot.net Wed Oct 16 01:15:05 1996
Message-ID: <32646DB5.4515@patriot.net>
Date: Wed, 16 Oct 1996 01:08:05 -0400
From: "J. Eric Slone"
Reply-To: eslone@patriot.net
Organization: Scientific Consulting Services
To: CHEMISTRY@www.ccl.net
Subject: Free Molecular Modeling and Estimation Software
Hello fellow CCL'ers...
We have a program called Molgen, which previously sold for $299 which we
are now giving away... yes, FREE. No catches! This is the same program
that we sold, with full modeling, depiction, MM2, conformational
analysis, thermodynamic and property estimation, and database
capabilities (and much more!) The program runs under MS-DOS, and
requires only 640k of memory (of course, more is better.)
It ships on 6 3.5" HD disks. To receive your free copy, send a
self-addressed, stamped disk mailer ($1.45 US postage required) with $10
to cover disks and handling to the address below. Overseas orders,
please include $5 to cover air mail postage; and please make payment in
US funds drawn on a US bank.
Why are we giving this program away? It's simple, we are not going to
develop this package further under the MS-DOS environment. By giving
this program away, we are hoping that it will benefit students,
educators, and researchers who may otherwise not have this type of
software available.
Once you have a copy, please feel free to give it to your friends and
co-workers. If you wish, you may post it on BBS or web sites.
Your order will ship within 3 days of receipt.
___________________________________________________________________
J. Eric Slone 10 years of Serving
Scientific Consulting Services the Technical Community
5500 Holmes Run Parkway, Suite 501
Alexandria, Virginia 22304-2851
Phone: (703) 461-7078 mailto:eslone@patriot.net
Fax: (703) 751-6639 http://www.patriot.net/users/eslone
___________________________________________________________________
Visit the Tuva Trader Online on our site at:
http://www.patriot.net/users/eslone/tuva.htm
___________________________________________________________________
Freelance Technical Writing
Software and Multimedia Development
Specializing in the Sciences
___________________________________________________________________
========================================================
Features of Molgen 3.0:
Real-time rotation and animation
Builder
Alter
Alter Distance
Alter Bond Angle
Alter Torsion Angle
Three atoms into XY plane
Two atoms into Z axis
Monitor
Alter rotation bond (max. 8)
Alter virtual bond in cycles (e.g. chair to boat conversion)
Atom Add Atom Delete
Fragment Add Fragment Delete
Bond Create Bond Delete
Optimization
Chirality
Inversion of one center
Inversion of molecule
Interfaces
Molgen Sybyl ChemWindow XYZ
CSD X-ray AMPAC PCILO
GEOMO MM2 MM2PI
Color
Molecule Atom
Geometry view
Distance between atoms
Bond angle
Torsion angle
Control of geometry
Fit by least squares method
Models (output to window, screen or printer)
Stick Space
Ball & Stick I Ball & Stick II
Dotted
Hydrogens Add Hydrogens Remove
Electron pairs Add Electron Pairs Remove
Properties
Lipophilicity
Calculation
Log(p)
Potential
on VdW surface
in Plane
Comparison of potentials of two molecules on plane
Color palette for potential defined by user
Model/Mode for potentials on VdW surface
Dotted Space 16 colors
Space 256 colors To screen
To file To printer
Molar refraction
Calculation
Charge
Calculation of Atomic charges
Potential on VdW surface in plane
Comparison of potentials of two molecules on surface
Color palette for potential defined by user
Model/Mode for potentials on VdW surface
Dotted Space 16 colors
Space 256 colors To screen
To file To printer
3D-Comparison of
Shape of molecules
Electrostatic potential of molecules
Lipophilicity potential of molecules
Volume & Surface
Calculation and Display
Molecular orbital
Display of energy levels (max. 10 molecules, 120 orbitals)
Display of HOMO and LUMO
Type of orbitals
Localized Canonical
Calculation of
Electron density Shape of orbitals
Printing of calculated orbitals
Simultaneous depiction of the eigenvalue level
diagrams of up to 10 molecules
Editing of the displayed orbital energies and related molecules.
Drawing of the canonical or localized molecular orbitals
MM2
Conformation analysis (max. 5 rotation bonds)
Optimization of
Selected rotation bonds (max. 8)
Whole molecule
Calculation of dipole moment
Dip-Dip interaction setup
Calculation and graphic output
Conformation analysis of one (max. 10 graphs) and
two rotation bonds
Distribution of conformers
Calculation of the partition function (temperature dependent)
Helix
Generation of the helix for monosaccharides
Single Double
Left Right
Database
3D structures in database
Create user defined databases and input 3D structures
Substructural search
Exact match searching
Numeric field range search
Text field substring search
Summary formula search
Printers supported
9 pin dot matrix printers
Epson FX and MX, IBM Graphics Printer &
Proprinter, Panasonic, Okidata, and other with Epson and IBM
emulations to 240x216 dpi resolution
24 pin dot matrix printers
Epson LQ, NEC Pinwriter, Proprinter X24, other
with Epson LQ and Proprinter X24 emulation to 360x180 dpi
Laser & InkJet printers
Laserjet, Deskjet, Deskjet 500C, Deskjet 550C,
Paint Jet & Cannon LBP 8, 600 dpi output on the LaserJet4
Postscript printers 2, 16 and 256 colors
Hewlett Packard pen plotters (HPGL)
HP7470, HP7475, HP7550, HP7585
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