- #Single crystal crystal maker mac os#
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- #Single crystal crystal maker software#
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Second, their graphical user interface (GUI) is not very user-friendly because they are based on the old-fashioned toolkits, GLUT and GLUI, which have been no longer upgraded. First, the combined use of VICS and VEND to visualize both crystal and electronic structures via text files is rather troublesome on-the-fly visualization of these two kinds of images is highly desired.
#Single crystal crystal maker full#
However, we never get full satisfaction from their usability and performance. They saw the light of day at the end of 2002 and, since then, continued their growth to be used widely in a variety of studies. Circumstances behind the development of VESTAVESTA is originated from two GLUT- and GLUI-based applications, VICS and VEND, developed by Dr. GAMESS input and 3D surface data files output by MacMolPltĤ.WIEN2k (*.rho) obtained with wien2venus.py.SCAT volumetric-data files (*.sca, *.scat).Compressed volumetric-data format (*.m3d).Periodic volumetric-data (binary format) (*.pgrid).General volumetric-data (binary format) (*.ggrid).Periodic volumetric-data (text format) (*.grd).General volumetric-data (text format) (*.?ed).MXDORTO/MXDTRICL FILE06.DAT, FILE07.DAT.MINCRYST (Crystallographic Database for Minerals).ICSD (Inorganic Crystal Structure Database).
#Single crystal crystal maker code#
GEOMETRY.OUT output by the Elk FP-LAPW Code. CSSR (Crystal Structure Search and Retrieval). CIF (Crystallographic Information File). American Mineralogist Crystal Structure Database (*.amc). Support of undo and redo in GUI operations. 
Improvements in inputting files with various formats. Customization of styles per sites or bond types. Determination of the best plane for selected atoms. Output information about principal axes and mean square displacements for anisotropicthermal motion. Significant performance improvements in rendering of isosurfaces and calculation of slices. Integration of electron and nuclear densities by Voronoi tessellation. Calculations of Patterson-function densities from structure parameters or volumetric data. Calculations of electron and nuclear densities from structure parameters. An extended bond-search algorithm to allow more sophisticated search in complex molecules,cage-like structures, etc. Visualization of isosurfaces with multiple levels. Superimposition of multiple structural models, volumetric data, and crystal faces on thesame Graphic Area. #Single crystal crystal maker free#
It is contributed free of charge for non-commercial users.
#Single crystal crystal maker mac os#
VESTA runs on Windows, Mac OS X, and Linux.
#Single crystal crystal maker software#
VESTA is a successor to two 3D visualization programs, VICS and VEND, in the VENUS ( Visualization of Electron/ NUclear and Structures) software package.
Export high-resolution graphic images exceeding Video card limitation. High quality smooth rendering of isosurfaces and sections. Arithmetic operations among multiple volumetric data files. Isosurface can be colored on the basis of another physical quantity. Transparent isosurfaces can be overlap with structural models. Visualize interatomic distances and bond angles that are restrained in Rietveld analysis with RIETAN-FP. 
The transformation matrix is also used to create superlattice and sublattice.
Support lattice transformation from conventional to non-conventional lattice by using matrix. Deal with virtually unlimited number of objects such as atoms, bonds polyhedra, and polygons on isosurfaces (theoretical limit on 32bit operating system is 1,073,741,823). Support multiple windows with more than two tabs in the same process. Support multiple tabs corresponding to files. Deal with multiple structural models, volumetric data, and crystal morphologies in the same window. Some of the novel features of VESTA are listed below. VESTA is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies.
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