三次元可視化システムVESTA, DV-Xα法計算支援環境
We have recently developed a three-dimensional (3D) visualization system VESTA that enables us to visualize structural models and 3D pixel data. VESTA allows us to calculate Cartesian coordinates of atoms and combine objects of structural models and isosurfaces. With many new features, VESTA exceeds its predecessors, i.e., VICS and VEND, in ease of use, display quality, scalability, and performance. Further, we have built an assistance environment for the DV-Xα method on the basis of Hidemaru Editor. This environment makes it possible to carry out a series of data processing such as preparation of *.xyz and F01, execution of DVSCAT, and 3D visualization using VESTA without entering any commands.
