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Updated: Jun 7, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

BALL--biochemical algorithms library 1.3.

Andreas Hildebrandt¹, Anna Katharina Dehof, Alexander Rurainski

¹Center for Bioinformatics Saar, Saarland University, Saarbrücken, Germany. anhi@bioinf.uni-sb.de

BMC Bioinformatics

|October 27, 2010

Summary

This summary is machine-generated.

The Biochemical Algorithms Library (BALL) is a C++ framework for structural bioinformatics, offering tools for molecular modeling and reducing development time. It has been significantly enhanced with new features over ten years.

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Area of Science:

Structural Bioinformatics
Computational Chemistry

Background:

The Biochemical Algorithms Library (BALL) is a C++ framework for rapid application development in structural bioinformatics.
It provides extensive data structures and algorithms for molecular modeling.
BALL has been used for ten years, with significant improvements in functionality.

Purpose of the Study:

To discuss the current functionality of BALL.
To highlight key additions and improvements in the library.

Main Methods:

The study reviews the existing and newly added features of the BALL library.
It focuses on improvements in file format support, molecular editing, force fields, energy minimization, docking, and cheminformatics.

Main Results:

BALL now supports additional file formats.
New molecular mechanics force fields and energy minimization techniques have been implemented.
Docking algorithms and cheminformatics support have been added.

Conclusions:

BALL is available for Linux, Windows, and MacOS X under LGPL and GPL licenses.
Source code and binary packages are available from the BALL project website.
BALL has been integrated into Debian and further distribution integrations are planned.