1/23/2024 0 Comments Zeolite crystalviewerCircumstances 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).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.It is contributed free of charge for non-commercial users. VESTA runs on Windows, Mac OS X, and Linux. ![]() VESTA is a successor to two 3D visualization programs, VICS and VEND, in the VENUS ( Visualization of Electron/ NUclear and Structures) software package.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |