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. Both the library and the viewer are heavily used for education and research. It has been carefully designed to meet the needs of programming experts and novices. New algorithms can be added easily. Using BALL as a programming toolbox allows greatly reducing application development times and helps ensure stability and correctness by avoiding often error-prone reimplementation of complex algorithms and replacing them with calls into a library that has been well-tested by many developers.
Further preparation and structure validation is enabled by, e. A Fragment Library automatically infers missing information, e. This selection can be used by all modeling classes like the processors or force fields. A variety of standard structural bioinformatics algorithms are offered and new algorithms can be easily added.
The following program reads a PDB file, adds missing information like bonds and hydrogens, optimizes the hydrogen positions using the AMBER force field, and writes the resulting molecule into a second pdb file.
The Python interface is fully integrated into the viewer application BALLView and thus allows for direct visualization of results computed by python scripts. It is also a framework to develop molecular visualization functions. BALLView offers standard visualization models for atoms, bonds, surfaces, and grid based visualization of e. BALLView allows loading several molecules at the same time and all representations can be hidden or shown at will. From Wikipedia, the free encyclopedia.