from the cool-tools-for-molecules dept.
Senior Associate BryanBruns writes "On the NanoCAD mailing list, Tim Freeman has announced the release of Fungimol 0.4. 'Fungimol is a extensible system that allows one to design atomic-scale objects. It's written in C++, and presently runs only under Linux.' "Senior Associate Peter McCluskey is also contributing to this project. Read More for the full announcement.
Here is the text of the announcement:
Subject: Fungimol0.4 can do hydrocarbon chemistry
Date: Sun, 5 Nov 2000 00:41:52 -0700
From: "Tim Freeman" <[email protected]>
Announcing Fungimol version 0.4.
Fungimol is a extensible system that allows one to design atomic-scale objects. It's written in C++, and presently runs only under Linux.
It comes with source and binaries for Brennermd, a Fortran public domain molecular dynamics system for hydrocarbon chemistry produced by Donald Brenner, J.A. Harrison, S.B. Sinnott, and O. Shenderova.
Changes since version 0.3:
* Fungimol now includes Brenner's molecular dynamics code as a plugin. Peter McCluskey did the vast majority of the port of Brenner's Fortran code to C; some Zyvex code was used. Although this version can do interesting physics, it still is missing required features because it has no convenient way to edit the velocities of atoms in the scene.
* DesignAtom's now deal with Nitrogen, Oxygen, Sulphur, and Phosphorus. They used to only do Hydrogen and Carbon. Peter McCluskey contributed the code.
* There is now a choice of integration techniques. The default is now third-order Adams-Bashforth instead of Runge-Kutta.
Documentation, sources, and binaries are at
http://www.infoscreen.com/fungimol
This product includes software developed by Zyvex LLC.
Tim Freeman
November 4, 2000
