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BALL is computer software consisting of the versatile C++ class framework BALL (Biochemical Algorithms Library), a library of algorithms and data structures for molecular modelling and computational structural bioinformatics, a Python interface to this library and an open source graphical interface to BALL, the molecule viewer BALLView. BALL has evolved from a commercial product into free-of-charge open-source software licensed under the GNU Lesser General Public License (LGPL). BALLView is licensed under the GNU General Public License (GPL) license. BALL and BALLView have been ported to the operating systems Linux, OS X, Solaris, and Windows. The molecule viewer BALLView, also developed by the BALL project team, is a C++ application of BALL using Qt, and OpenGL with the real-time ray tracer RTFact as render back ends. For both, BALLView offers three-dimensional and stereoscopic visualizing in several different modes, and applying directly the algorithms of the BALL library via its graphical user interface. The BALL project is developed and maintained by groups at Saarland University, Mainz University, and University of Tübingen. Both the library and the viewer are heavily used for education and research. BALL packages have been made available in the Debian project in April 2010. == Key features == * Interactive molecular drawing and conformational editing (+) * Reading and writing of molecular file formats (PDB, MOL2, MOL, HIN, XYZ, KCF, SD, AC) * Reading secondary data sources e.g. (DCD, DSN6, GAMESS, JCAMP, SCWRL, TRR) * Generating molecules from and matching of SMILES- and SMARTS expressions to molecules * Geometry optimization * Minimizer and molecular dynamics classes * Support for force fields (MMFF94, AMBER, CHARMM) for scoring and energy minimization * Python interface and scripting functionality * Plugin infrastructure (3D Space-Navigator, WII-based head tracking *, OpenSim *) * Molecular graphics (3D, stereoscopic viewing, ray tracing *)(+) * comprehensive documentation (Wiki, code snipets, online class documentation, bug tracker) * comprehensive regression tests * BALL project format for presentations and collaborative data exchange (+) * QSAR * * NMR * editable shortcuts (+) ( *) Experimental functionality of the next version (+) functionality of BALLView 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「BALL」の詳細全文を読む スポンサード リンク
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