| <?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/qtwebkit</pkg> for drawing</flag> |
| </use> |
| </pkgmetadata> |