CrystalMaker X 10.6.4 macOS

Its interactive design lets you “see the wood for the trees” and build your own visual understanding of complex materials. CrystalMaker transcends traditional crystallography software, letting you create dynamical visualizations with rotatable animations. Energy-modelling tools let you design and relax new structures, predict their vibrational properties, and explore how they interface with other materials.
CrystalMaker 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. Manipulate structures in real , with the mouse. Multiple View “bookmarks” and undo levels encourage exploration and discovery – ideal for teaching and research.
Integrated Structures Library – Now Add Your Own
CrystalMaker X includes an integrated structures library with some 1200 structures: annotated, indexed and with previews – ready for immediate display. The library includes over 400 minerals (all the the major rock-fog minerals plus many more), as well as important inorganic and organic crystals and molecules: from buckyballs to zeolites, and from dental ceramics to high-Tc superconductors. Also included is a teaching library of crystal-chal type structures, plus thematic libraries covering topics as diverse as chal warfare, medicinal chemistry, food flavourings and more.
Not Just Another Library.
These aren’t your typical crude CIF text files! All files are saved using CrystalMaker’s rich naixava document format (CMDX or CMDF) which lets you instantly load a fully-completed model with bonding, polyhedra, detailed notes (with publication data in most cases) and full metadata for powerful searching.
Each structure has been carefully constructed, with the optimum view direction and model settings to convey the best-possible visual understanding – and thereby saving you you can even rotate your model as it relaxes. This work is the culmination of a three-year research project in collaboration with world-leading UK scientists. We believe it offers you the best practical solution for molecular modelling – at a fraction of the cost of competitor products.
Why is CrystalMaker’s Modelling So Unique
Force field approach, using parameterised potentials calibrated using DFT: all the advantages of DFT, but works in real , with much larger systems – and on your laptop!
Smart selection of potentials, based on bonding environment: requires no additional user input.
Monte Carlo technique allows relaxation of structures far from equilibrium – e.g., crude, hand-drawn structures with excessive bond lengths and distorted bond angles!
Hybrid least-squares cycle added to provide greater precision in the closing stages of refinement.
Provides energy output, available in graphical form during the course of the refinement cycle, and later, via a menu command.
Calculates vibrational modes, including frequencies and simulated infra-red spectrum, plus interative visualizations of vibrations in the Vibrations Explorer.
Molecular Crystal Tools
Our mantra of letting you “see the wood for the trees” is particularly apposite when working with complex molecular crystals. Often there’s more to see than just the asymmetric unit – the packing for a start – and other programs struggle with fragmented molecules at the edges of the unit cell.
CrystalMaker X’s dedicated tools let you reveal the intact contents of one unit cell, isolate individual molecules or show the asymmetric unit. You can repair “fragmented” molecules, “grow” the plot range along an atom’s nearest-neighbours, and make sense out of complexity.
Transformation & Crystal Eeering
CrystalMaker lets you transform the unit cell, chag the lattice type, building a supercell, moving the origin, or applying an arbitrary matrix transformation. You can also project the unit cell onto a chosen lattice plane, to create a “surface cell”. Unlike traditional software, CrystalMaker features an elegant, easy-to-use interface, with common choices available as presets. Crystallography without the pain!
CrystalMaker’s selection tools let you move, detach, duplicate, hide, delete groups of atoms. Hide or repair molecular fragments – isolate individual molecules. Display lattice planes in any orientation; slice the crystal to investigate surfaces or internal planes – and place one structure or molecule inside another. CrystalMaker’s real- crystal eeering tools let you insert space within your crystal lattice, place new atoms or entire molecules in the crystal – and design new crystal lattices.
Transformation Tools
Plot Range: real- control over atom range along xyz
Spherical Cluster: real- control over inner & outer radii of your “nanocrystal”.
Cavity Finder: automatically show the largest cavities in your structure using appropriately-sized translucent spheres.
Selection Tools (arrow/rectangle, lasso, polygon, zapper) to hide or isolate groups within the structure.
Slice lattice with oriented lattice plane: display surface.
Slab generation: using two oriented lattice planes.
Surface Cell Generation: projected onto a specified plane.
Supercell: specify a multiple of the existing cell dimensions.
General Matrix Transformation with presets (e.g., convert rhombohedral to hexagonal.)
Discard Symmetry command; adds new sites to preserve your structure.
Crystal-to-Molecule conversion.
Packing Explorer provides interactive molecule-to-crystal command with live symmetry, cell parameters, position and orientation.
Move or Rotate Groups of atoms within the crystal lattice.
Duplicate Selected Atoms.
Change Atom Types (element symbol, occupancy), using the Selection Inspector.
Insert Space along a specified lattice plane within the crystal.
Bend Lattice: select atoms, specify a radius of curvature and you have an instant nanotube (or bent sheet).
Interpolate Structures: add intermediate structures to make animations of structural behaviour smoother.
3D Printing & Model Export
CrystalMaker lets you print 3D models of your structures, via the STL 3D file export option (widely supported by most 3D printers). You can also export any structure as a self-contained COLLADA 3D file: ideal for exchange with 3D graphics software. Even better, you can view your CrystalMaker COLLADA files on your iPad! Just drop your files into iBooks Author (a free from the Mac app store), then publish to your iPad.
Diffraction Support
Diffraction patterns can be simulated for any displayed crystal structure, with just a single menu command – thanks to our CrystalDiffract (powder diffraction) and SingleCrystal (X-ray, neutron and TEM single-crystal diffraction) programs. SingleCrystal can be linked with CrystalMaker, so as you rotate your structure its diffraction pattern rotates, and vice versa Video. A new “Live Powder Diffraction” mode lets you edit your structure in CrystalMaker and see its corresponding powder diffraction pattern update in real , in CrystalDiffract.
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