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ATOMS is a program for drawing all types of atomic structures, including crystals, polymers and molecules. It can make fully "three-dimensional" color drawings using the latest system software (OpenGL for Windows and QuickDraw3D for Macintosh), or it can make simple schematic black-and-white drawings for reproduction on a small scale in publications - or virtually anything between these extremes. The representation can be ball-and-stick, wire-frame, interpenetrating atoms (space-filling), coordination polyhedra, or combinations thereof. A separate thermal ellipsoid mode draws atoms and bonds in the style of ORTEP. Solid ellipsoids can also be shown in the 3D mode. Drawings can be orthographic or perspective, and stereopairs can be automatically drawn. Anaglyphs (two-color superimposed stereopairs) can also be drawn in wire-frame representation. Atoms and bonds can be labelled automatically. Atomic vectors can show magnetic spins (using Shubnikov symmetry if desired) or any other vectorial properties, and may also be used to show atomic displacements in vibrational modes (using output from VIBRATZ - see below). A library of 13 basic inorganic crystals is now included at no charge, along with other sample structures. ATOMS will use lattice translations and space-group symmetry to produce as many generated atoms as desired for a crystal or polymer, using any of several boundary options: 1) unit cell; 2) chosen crystal forms; 3) translations limits; 4) slice (growth layer); 5) sphere; or 6) isolate molecules. Bonds and polyhedra are located automatically, from minimal specifications. After generation of all atoms, it is possible to move or otherwise modify individual atoms. Molecules can be isolated in crystal structures and multiple structure fragments can be rotated and translated independently.
ATOMS will import several kinds of atomic-coordinate files (see File Formats Supported). A free-form input option makes it easy to read most other text files containing atomic coordinates. Printed and file output is made at the maximum resolution of the printer or other device, scaled automatically to the specified frame if desired. Output to a PostScript printer can be made directly in the PostScript language for maximum speed and resolution. Windows and Mac versions of ATOMS will both write Encapsulated PostScript, VRML (3D), PNG raster and HPGL files. The Windows version will write Windows metafiles (standard, placeable or enhanced), and .BMP, .PCX, .TIF or .PNG raster files. The Macintosh version will write PICT files as either Pictures (metafiles)or bitmaps, .PNG raster files, and 3DMF (3D) files. All output may be either color or black-and-white. Colors for color display and output are separate from gray shades for black-and-white output. New for Version 5.0. The new "Cavities" display mode shows open space in crystals - see the drawing above (zeolite ZSM5). You can display or print simulated powder diffractograms or precession photographs, or print out the structure factors and powder intensities. Hachure patterns for polyhedra and atoms improve the ability to differentiate types in black-and-white drawings. There are many user interface improvements, including rotation with the mouse.
ATOMS for Macintosh V5.0. System 7.1.2 or later required (System 7.5 or 8+ recommended). Both a native PowerMac version and a 68K version are supplied. PowerMac version uses 3.5 MB of memory. 68K version requires 68020 or later processor and uses 4.5 MB of memory. Library of over 220 Minerals. This library includes the data files used for the structure illustrations in the 8th edition of Dana's System of Mineralogy (Dana's New Mineralogy - John Wiley).
View some ATOMS images in raster format (may take some time to download). Color quality in
3D files is less than ideal because of the necessity to keep file size small. |
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ATOMS for atomic-structure display
There
are many options for rotation in real-time and analytically, including alignment on crystal vectors
and/or faces. The drawing can be scaled automatically for a specified frame, or in absolute units.
ATOMS
for Windows V5.0. This is a 32-bit program which will run on Windows NT or Windows 95/98. It
requires 80386 or later processor and at least 8M of system memory.
