rusty craine <email@example.com> wrote:
| Know of any current efforts in lisp and molecular mechanics?
Well, there's a small yet quite interesting molecular "CAD" package called
"NanoCAD", by Will Ware, that was originally written in Scheme[*]
that you might find interesting:
The screen shot at the top of that page shows most of it, except you can
also click-and-drag to move/rotate the displayed molecule. An older version
of it also comes in the "collects/mrdemo/" directory of the MrEd distribution.
I just fired up the one that came with MrEd v.51, and in about 10 minutes
built some C7H12 (a simple linear chain with two double bonds) and ran a
couple of "energy minimization" passes on it (the "Emin" button), and then
tilted it around a bit to look at it. It's pretty cute. [The "NanoCAD"
package, I mean, not my silly little molecule...]
[*] Actually, MzScheme, extended with the MrEd package which includes the C++
"WxWindows" graphics classes. but I digress... Originally in Scheme, but
re-written in Java. (*sigh*) See <URL:http://world.std.com/~wware/ncad.html>.
However, the original Scheme version is still available.
Rob Warnock, 8L-855 firstname.lastname@example.org
Applied Networking http://reality.sgi.com/rpw3/
Silicon Graphics, Inc. Phone: 650-933-1673
2011 N. Shoreline Blvd. FAX: 650-964-0811
Mountain View, CA 94043 PP-ASEL-IA