sci-chemistry/ball/metadata.xml


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<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
  <herd>sci-chemistry</herd>
  <maintainer>
    <email>jlec@gentoo.org</email>
  </maintainer>
  <longdescription>
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.
</longdescription>
  <use>
    <flag name="sql">Include SQL database support</flag>
    <flag name="cuda">Include cuda support</flag>
    <flag name="webkit">Uses <pkg>dev-qt/qt-webkit</pkg> for drawing</flag>
  </use>
</pkgmetadata>