32 lines
1.4 KiB
XML
32 lines
1.4 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<herd>sci-chemistry</herd>
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<maintainer>
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<email>jlec@gentoo.org</email>
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</maintainer>
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<longdescription>
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Rapid Software Prototyping can significantly reduce development times in the
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field of Computational Molecular Biology and Molecular Modeling.
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BALL (Biochemical Algorithms Library) is an application framework in C++ that
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has been specifically designed for this purpose. It provides an extensive set
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of data structures as well as classes for Molecular Mechanics, advanced
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solvation methods, comparison and analysis of protein structures, file
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import/export, and visualization .
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BALL has been carefully designed to be robust, easy to use, and open to
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extensions. Especially its extensibility which results from an object-oriented
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and generic programming approach distinguishes it from other software packages.
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BALL is well suited to serve as a public repository for reliable data
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structures and algorithms.
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Based on BALL we have developed a stand-alone tool for molecular visualization,
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BALLView . BALLView makes the broad functionality available through an
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integrated user-friendly GUI.
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</longdescription>
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<use>
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<flag name="sql">Include SQL database support</flag>
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<flag name="cuda">Include cuda support</flag>
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<flag name="webkit">Uses <pkg>dev-qt/qtwebkit</pkg> for drawing</flag>
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</use>
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</pkgmetadata>
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