WinMol - Display a molecule for Windows 3.0 & 3.1

Copyright (C) 1993 Pavel V. Ganelin
All Rights Reserved.


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 format of 
the datafile is described below. There is one example enclosed (c60.xyz).



XYZ format (subset!).
----------

Short descripiton of the subset of XYZ format used in the program.

The first line   -- N, the number of atoms .
The second line  -- comment ( molecular name and so on.)
N lines          -- atomic coordinates. Each line has four fields. The first
			one is the atomic number or chemical symbol  
			plus optional number after the symbol without
			any space between them (i.e "C1" not "C 1")     
			The following three fields are Cartesian coordinates in 
			angstroms.

As you can see there is no information about bonds in XYZ file. 
The bond atoms are calculated based on the rule:

covalent radius 1 + covalent radius 2 > distance * 1.12

(see acknowledgement)


Files
-----

In this package only binaries are distributed

readme.doc    -- this file
molwin.exe    -- Windows 3.0 executable.
c60.xyz       -- XYZ file for C60.

The source is available upon request directly from the author by E-mail.
You can distribute it further (see licensing below) but I do not want it 
to be uploaded to the electronic archives (though do not restrict you
to do it).


Menu
----
File
   Open           --  read the XYZ file
Options
   Show Hydrogens -- Binary switch. When on ( default ) the hydrogen would
		     would be drawn.
   Bonds Only     -- Binary switch. When off (default) the spheres 
		     represente atoms. When on only bonds are shown. 

   Rotate Axis     -- Select an axe to  rotate about.
		     Default value is Z-axis.
		
			 Z      
			/ \     
			 |     /  Y 
			 |   /
			 | /
			 .-----------------> X

Help              -- Display brief help.
About             -- Display copyright information.

Left & right mouse click
		  -- rotate the molecule about the selected axis.





Bugs and limitation.
--------------------

    The program does not check correctness of the XYZ data file. 
    Number of atoms         200
    Maximum atomic number    36  (Kr)  *


* If you need more elements expand the table of the covalent and van der Waals
radii and recompile the program.


Licensing
---------
    Copyright (c) 1993 Pavel V. Ganelin
    All rights reserved.

    Redistribution and use in source and 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.


Acknowledgement.
-----------------

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 Xwindows only.

 

Bug report.
_____________

Please report any bugs or problems to:
(suggestions are welcomed)

Pavel V. Ganelin
Dep. Of Chem. Catholic Univ. of America
Washington, DC , 20064

Internet:       48ganelin@cua.edu
