sci-chemistry
jlec@gentoo.org
Rapid Software Prototyping can significantly reduce development times in the
field of Computational Molecular Biology and Molecular Modeling.
BALL (Biochemical Algorithms Library) is an application framework in C++ that
has been specifically designed for this purpose. It provides an extensive set
of data structures as well as classes for Molecular Mechanics, advanced
solvation methods, comparison and analysis of protein structures, file
import/export, and visualization .
BALL has been carefully designed to be robust, easy to use, and open to
extensions. Especially its extensibility which results from an object-oriented
and generic programming approach distinguishes it from other software packages.
BALL is well suited to serve as a public repository for reliable data
structures and algorithms.
Based on BALL we have developed a stand-alone tool for molecular visualization,
BALLView . BALLView makes the broad functionality available through an
integrated user-friendly GUI.