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readme.txt
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WinMol - Display a molecule for Windows 3.0 & 3.1
Copyright (C) 1993 Pavel V. Ganelin 48ganelin@cua.edu
Catholic Univ. of America, Washington DC, 20064, USA
All Rights Reserved.
Version 2.0
Introduction
-----------
This is a program to display and rotate a molecule under Windows 3.
The program reads a datafile with atomic coordinates and display a molecule.
You can't edit the picture but you can rotate the molecule.
The supported input formats are
XYZ, PDB, Gaussian Output
Files
-----
In this package only binaries are distributed
readme.doc -- this file
molwin.exe -- Windows 3.0 executable.
molwin.hlp -- Windows 3.1 help file. (does not work with windows 3.0)
*.xyz -- examples
Coordinate System
-----------------
Z
/ \
| / Y
| /
| /
.-----------------> X
Bugs and limitation.
--------------------
The program does not carefully check correctness of a data file. It is
up to you.
Number of atoms 500
Maximum atomic number 103 (Lr)
The program does not draw a good picture if spheres overlaps, thus
the value of SphereFactor > 0.60 is not recommended.
News Version 1.1
-----------------
1. The table of the elements has been expanded up to Lr (#103) (previous 46)
2. Icon to represent the program. (the methane molecule)
3. If you press the button and keep it you will get the animation.
4. The possibility to modify default parameters in setup menu.
5. Copy picture to the clipboard.
News Version 2.0
-----------------
1. New input formats (Gaussian and PDB)
2. Setup options can be saved and they are restored automatically
during start.
3. Improved interface and new options added.
4. You could change atomic radii.
6. Stereoscopic view.
7. Labeling of atoms
8. Window Help (not fully context-sensitive yet)
Licensing
---------
Copyright (c) 1993 Pavel V. Ganelin
All rights reserved.
Redistribution and use in binary forms are permitted
provided that the above copyright notice is duplicated in all such
forms, and that any documentation,
advertising materials, and other materials related to such
distribution and use acknowledge that the software was developed
by Pavel V. Ganelin.
THE SOFTWARE IS PROVIDED ``AS IS'' AND WITHOUT ANY EXPRESS OR
IMPLIED WARRANTIES, INCLUDING, WITHOUT LIMITATION, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE.
Addition to licensing: Source
-----------------------------
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!! This has been changed since version 1.1 !!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
The source may be available upon request directly from the author by E-mail
upon the author consideration. It is free for universities and degree-granting
institutes. You may not distribute the source code further without a
written agreement from the author.
If you get the source code you are free to modify it for yourself.
You may send corrections back to the author and I may include them
to the new version. I will mention about your contribution in "readme.txt" but you
will not have any legal rights to the code.
May be in the future I will do a commercial product out of this
(may be not, nobody knows) and I want to be free to do it.
Acknowledgment.
-----------------
I decided to write the program when I looked at the Xmol package.
The latter is written by Carolyn Wasikowski & Stefan Klemm,
Minnesota supercomputer center. It has more features but works
for X window only.
If you are interested in PDB formats only there is a program RasMol
available for both X window and MSWindows.
Some examples were donated by Gregor Fels "GF@chemie.uni-paderborn.de"
Bug report.
_____________
Please report any bugs or problems to:
(suggestions are welcomed, text corrections are welcomed too!)
Pavel V. Ganelin
Dep. Of Chem. Catholic Univ. of America
Washington, DC , 20064
Internet: 48ganelin@cua.edu