Subject: area of projection

From: "Stanislaw Kucharski" <[email-masked]>
Date: Tue, 25 Jul 1995 10:10:54 MET1MDT

Dear Netters,

    I am interested in a program able to calculate the area of 
projection of the molecule or cross-section of the molecule at given 
plane.
    I remember a note which appeared ca. 3 month ago about a program 
calculating area of the organic molecule in adsorption state and the 
author of the note was probably from Australia. 
    Could someone indicate such a program?
 Thank you in advance,        

Stanislaw Kucharski

---

From: Craig Taverner <[email-masked]>
Date: Tue, 25 Jul 1995 19:58:00 +0200 (GMT+0200)

> projection of the molecule or cross-section of the molecule at given 

I have a program that calculates the solid angle of a molecule from a 
point perspective.  This is effectively the area of projection of the 
molecule onto a spherical surface, if one considers the projection to be 
due a light source at the origin of a sphere.  This is useful for steric 
effects about POINTS of interest.  The same program can also calculate 
molecular volumes using both fixed grid and monte carlo approaches.

If what you really want is the area of projection onto a normal plane, 
the program doesn't currently do that, but it would not be particularly 
difficult to add (the solid angle calculation is quite a bit more 
difficult.)

Cheers, Craig

"If God had meant us to be naked, we would have been born that way."

Craig Taverner
Structural Chemistry, University of the Witwatersrand, South Africa