We are interesting in math back-end software for visualization of
(interactive) protein folding. The main criteria are - high performance -
Windows NT as platform - effective C++, OLE or, at least, DDE interface -
high flexibility for definition of fitness function (forcefields, molecular
surface, solvent availability, bumps) - support for fast 3D operations,
transformations between psi-phi and Cartesian coordinates - support for rapid
& robust minimization algorithms (steepest descents, variants of
Newton-Raphson, etc.) - support for molecular dynamics calculations (Verlet?)
- global optimization (genetic algorithms?) - more or less intuitive
programming language
Any suggestions/comparisons/thoughts will be welcomed.
Thanks,
-----== Posted via Deja News, The Leader in Internet Discussion ==-----
http://www.dejanews.com/rg_mkgrp.xp Create Your Own Free Member Forum
