![]() ![]() Simulated patterns can be superimposed above observed patterns, for direct comparison. Use the translucent Ruler, Protractor and Grid tools to measure your pattern and copy the results to the clipboard. You can use SingleCrystal as a virtual lightbox: just drag-and-drop a diffraction image into any window, zoom in to examine fine details, move or rotate the image. You can edit lattice parameters and site occupancies – and opt to exclude certain sites from the diffraction calculation. You can colour-code your patterns by intensity, wavelength, or even phase angle.ĭiffraction- and structural data can be browsed and sorted on screen. SingleCrystal can label reflexions, show systematic absences, and lets you measure distances and angles between diffraction spots. Other controls allow you to change the scale (camera constant), saturation, sample thickness, wavelength and other parameters. Precise tilts can be entered, or you can define a view direction as a plane normal or lattice vector. SingleCrystal lets you rotate your (virtual) crystal in real time, by clicking-and-dragging with the mouse, clicking toolbar “tilt” controls, or using the keyboard. With CrystalMaker’s “Live Rotation Mode” enabled, rotating the crystal causes its diffraction pattern to rotate – and vice versa. The two programs can be linked, letting you view a crystal structure in one window, and its diffraction pattern in another. SingleCrystal is designed to work with CrystalMaker, reading from saved crystal files to simulate diffraction properties. Key diffraction techniques such as Laue, Precession & transmission electron diffraction are simulated, with real-time structure/diffraction rotation and control over sample thickness and instrumental parameters. SingleCrystal is an elegant program designed to make the world of diffraction, reciprocal lattices and stereographic projections intuitive, interactive and fun! SingleCrystal can simulate X-ray, neutron and electron diffraction patterns from single crystals, as well as being able to display reciprocal lattice sections and stereographic projections. It features amazing 3D visualization capabilities, allowing you to manage lattices and create great-looking animation movies.From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction properties of crystals. Additionally, you can create animated movies that can be played as slideshows, regardless of the used platform on the target computer.ĬrystalMaker is a complete package for generating virtual models of molecules and crystals, analyzing and exploring structures in an intuitive, stylish and interactive working environment. You can experiment with different types of lattices and customize objects according to your preferences.ĭiffraction pattern simulation, import and export capabilities, structure snapshots, custom notes are some of the other features that are worth mentioning. It features impressive 3D stereo view, field depth, enabling you to get an insight of the model from various perspectives.ĬrystalMaker can handle a diverse range of models, from the standard ball representation of an atom and connections displayed as lines to much more complex structures, such as polyhedra or ellipsoids. One of the main advantages of this application refers to its graphics engine. There is a set of tools dedicated to measuring or calculating distances and angles, as well as generating on-screen histograms. Models can be easily manipulated using the mouse only, with possibilities to rotate the entire structure, link atoms together, alter parameters such as bond angles and torsion, changing item color for easier identification purposes and so on.Ītoms and crystals can be easily moved around, hidden, erased, detached from a structure, molecular sections can be repaired, surfaces can be analyzed closer and internal structures can be investigated. The built-in library includes various structures that you can load before proceeding to creating one from scratch. Combining scientific accuracy with advanced rendering capabilities, it can generate realistic graphics and animations, which makes it a perfect tool for researchers and students alike. CrystalMaker allows you to enjoy designing and viewing high resolution crystals and molecules in 3D, aiming to give you a helping hand in understanding their structure. ![]()
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