This functionality is accessed via the Pair Distribution Function tab of the revised Distance Explorer window. CrystalMaker can now calculate full x-ray and neutron pair distribution functions – G ( r ) – as well as “partial” P.D.F.s – gmn( r ) – for specific element pairs. As with earlier versions of the program, tabulated distances can be viewed in a retractable Table view, and graphics can be dragged-and-dropped into other programs, or exported via the toolbar’s Output button.The graph now shows the y-value(s) at the current cursor position.Increasing or decreasing the distance limit is now much faster, as the program is able to retain its existing distance data and merely calculate distances in an expanded range interval.The option to “remove duplicate distances” has been removed, as this is now performed automatically, based on whether or not the window is in “Pair Distribution Function” mode.The window uses Apple’s new “integrated” toolbar design and features a tabbed selector button to switch between a conventional distance display, and a new Pair Distribution Function capability (see below). The Distance Explorer has a sleek new design, with an elegant tool strip replacing the former “Inspector” pane, and an always-visible Sidebar offering easy customization of distance searches.Insert Space along a specified lattice plane within the crystal.Change Atom Types (element symbol, occupancy), using the Selection Inspector.Move or Rotate Groups of atoms within the crystal lattice.Packing Explorer provides interactive molecule-to-crystal command with live symmetry, cell parameters, position and orientation.Discard Symmetry command adds new sites to preserve your structure.General Matrix Transformation with presets (e.g., convert rhombohedral to hexagonal.).Supercell: specify a multiple of the existing cell dimensions.Surface Cell Generation: projected onto a specified plane.Slab generation: using two oriented lattice planes.Slice lattice with oriented lattice plane: display surface.Work with multiple datasets in the same window.Customize interior, exterior and truncation colours.Flatter your experimental data with bicubic interpolation for gorgeous smooth display.Display iso-surfaces or volumes with real-time range control.Visualize multiple lattice planes sections, with transparency.Point cloud (size or opacity) display option.Clamp data display range using range slider.Calculate and visualize electron density for any crystal.Visualize porosity as “negative” (void) or “positive” (filled) space.Visualize volumetric data from 3ED, CASTEP, Gaussian CUBE, DEN, GRD, GULP, VASP, Voxel, XSF files.Multiple View “bookmarks” and undo levels encourage exploration and discovery – ideal for teaching and research. Manipulate structures in real time, with the mouse. CrystalMaker crack mac provides a streamlined workflow that majors on productivity: just drag-and-drop your data files into the program for instant display in spectacular photo-realistic colour. CrystalMaker Mac Full transcends traditional crystallography software, letting you create dynamical visualizations with rotatable animations.Įnergy-modelling tools let you design and relax new structures, predict their vibrational properties, and explore how they interface with other materials. Its interactive design lets you “see the wood for the trees” and build your own visual understanding of complex materials. CrystalMaker 2022 Mac is the most-efficient way to visualize crystal and molecular structures.
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