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Shape Software
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ATOMS
for atomic-structure display
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SHAPE
for crystal morphology
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VIBRATZ
for normal-coordinate vibrational analysis
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CRYSCON
crystallographic conversion and utility
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Software for Windows, Macintosh and Linux
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Shapeoko accepts standard gcode so you can use almost any CAM software. Capable of full 3D machining, not just simple 2D shapes. All included software runs on your Mac (10.9 or higher), or PC (Windows 7 or higher). Buy an expansion kit any time to upgrade your Shapeoko 3 to the XL or XXL. Ships Worldwide! GeoGebra - Free Online Geometry Tool. Geogebra is the best online geometry software for creating different geometric figures - points, lines, angles, triangles, polygons, circles, elipses, 3D planes, pyramids, cones, spheres.
Contents
ATOMSdescription
ATOMS images
SHAPE description
SHAPE images
VRML (3D) Files
VIBRATZ description
CRYSCON description
FileFormats Supported
ATOMS images
SHAPE description
SHAPE images
VRML (3D) Files
VIBRATZ description
CRYSCON description
FileFormats Supported
Support for 3D Printing
ATOMS V6.5 and SHAPE V7.4 will now write StereoLithograph (.stl) and Wavefront (.obj) files, the most common formats used for 3D printing
ATOMS V6.5 and SHAPE V7.4 will now write StereoLithograph (.stl) and Wavefront (.obj) files, the most common formats used for 3D printing
Update on 3DStereoscopic Viewing
Technology for stereoscopic 'true' 3D viewing with moderately-priced hardware has advanced rapidly. The ATOMS V6.5 and SHAPE V7.4 releases for Windows support many of the new displays through quad-buffered OpenGL and Direct3D. As of June 2011 ATOMS and SHAPE support Stereo viewing with Direct3D in a window as well as fullscreen. See the Stereo Viewing page for more details.
Movie Files.
TheATOMS V6.5 and SHAPE V7.4 releases have the ability to write video or movie files of rotation or vibration. These can be written in the platform-independent Flash (.swf) format or as .avi files which can be converted to .mp4, .webm or .ogg files for native play in browsers (files shown here are .mp4)
See a movie of thermal motion in corundum.
End of 32-bit Programs on Macintosh
With release of the Catalina operating system (OS 10.15) support for 32-bit programs on Macintosh has been discontinued. All Shape Software programs for Macintosh are 32-bit and there are no plans to update to 64-bit, which would require extensive rewriting. In order to run these programs in a Macintosh it will be necessary to operate an older OS, such as Mojave (OS 10.14). There are several ways to do this on a single computer, as discussed here. Current Mac users may also be eligible for free or low-cost switch to the Windows version. [email protected].
ATOMS foratomic-structure display
ATOMS is a program for drawing all types ofatomic structures,including crystals, polymers and molecules. It can make fully'three-dimensional' color drawings using the latest system software,or it can make simple schematic black-and-white drawings forreproduction on asmall scale in publications - or virtually anything between theseextremes.
The representation can be ball-and-stick, wire-frame,interpenetrating atoms(space-filling), coordination polyhedra, or combinations thereof. Aseparatethermal ellipsoid mode draws atoms and bonds in the style ofORTEP. Solidellipsoids can also be shown in the 3D mode. Drawings can beorthographicor perspective, and stereopairs can be automatically drawn. Anaglyphs(two-colorsuperimposed stereopairs) can also be drawn in wire-framerepresentation. Atomsand bonds can be labeled automatically. Atomic vectors canshow magneticspins (using Shubnikov symmetry if desired) or any other vectorialproperties,and may also be used to show atomic displacements in vibrational modes(usingoutput from VIBRATZ - see below). A library of 13 basicinorganiccrystals is now included at no charge, along with other samplestructures.
ATOMS will use lattice translations and space-group symmetryto produce asmany generated atoms as desired for a crystal or polymer, using any ofseveralboundary options: 1) unit cell; 2) chosen crystal forms; 3)translations(unit-cell) limits; 4) slice (growth layer); 5) sphere; or 6) isolatedmolecules.Bonds and polyhedra are located automatically, from minimalspecifications.After generation of all atoms, it is possible to move or otherwisemodifyindividual atoms. Molecules can be isolated in crystal structures andmultiplestructure fragments can be rotated and translatedindependently.
There are many options for rotation in real-time andanalytically, includingalignment on crystal vectors and/or faces. The drawing can be scaledautomatically for a specified frame, or in absolute units.
ATOMS will import several kinds of atomic-coordinate files(see File FormatsSupported).Afree-forminput option makes it easy to read most other text files containingatomiccoordinates.
Printed and file output is made at the maximum resolution ofthe printer orother device, scaled automatically to the specified frame if desired.Output toa PostScript printer can be made directly in the PostScript languageformaximum speed and resolution. Windows and Mac versions of ATOMS willboth writeEncapsulated PostScript, VRML (3D), PNG raster and HPGL files. TheWindowsversion will write Windows metafiles (enhanced), and .BMP, .PCX, .TIFor .PNGraster files. The Macintosh version will write PICT files as eitherPictures(metafiles)or bitmaps and .PNG raster files. All output may be eithercolor orblack-and-white. Colors for color display and output are separate fromgrayshades for black-and-white output.
New for Version 5.0. The new'Cavities' display modeshows open space in crystals - see the drawing above (zeoliteZSM5). You can display or print simulated powderdiffractograms orprecession photographs, or print out the structure factors and powderintensities. Hachure patterns for polyhedra and atoms improvethe abilityto differentiate types in black-and-white drawings. There aremany userinterface improvements, including rotation with the mouse.
New for Version 5.1. Over 20additions and extensions fromV5.0, including layer expansion (e.g. for modeling clay minerals), newoptionsfor locating molecules, and extensions to both 2D and 3D drawing.
New for Versions 6.0 and 6.1. Additionsinclude rotation movies, POV-Rayfiles, magnetic wave vectorsimulation, randomized atom properties for simulating solid solutions,new atomdeletion tool, general planes and cylinders in 3D mode and z-matrixinput forgeneration of molecules.
New for Versions 6.2 and 6.3.Additions include half-and-half bond coloring, movable labels, hydrogen atom location,animation ofvibrational modes and thermal motion in VIBRATZ files and others.
New for Version 6.4. Now supports3D stereoscopic viewing with either OpenGL quad-buffering or Microsoft Direct3D (DirectX).
New for Version 6.5. Supports writing files - StereoLithograph (.stl) and Wavefront (.obj) files - for direct output for 3D printing.
ATOMS for Windows V6.5. This is a 32-bitprogram which will run on most versions of Windows from XP on.
ATOMS for Macintosh V6.5.For Intel on OS 10.4 or later.
ATOMS for Linux/GTK V6.5.For Intel x86.
Library of over 220 Minerals. This libraryincludes the data filesused for the structure illustrations in the 8th edition of Dana'sSystem ofMineralogy (Dana's New Mineralogy - John Wiley).
View some ATOMS images in raster format (may takesome time to download).Color quality in 3D files is less than ideal because of the necessityto keepfile size small.
Carnallite.The full image is 32K
MnO (FCC)magnetic structure (3D). The full image is 16K
Garnet. Thefull image is 32K
Okenite. Thefull image is 35K
ORTEP drawing.The full image is 16K
Fullerene.The full image is 48K
Space-filling(3D) The full image is 38K
Epidote -Hachures for atoms and polyhedra. The full image is 12K
MgO6coordination in forsterite. The full image is 14K
Albite twinin low albite (NaAlSi3O8). The full image is 44K
MnO (FCC)magnetic structure (3D). The full image is 16K
Garnet. Thefull image is 32K
Okenite. Thefull image is 35K
ORTEP drawing.The full image is 16K
Fullerene.The full image is 48K
Space-filling(3D) The full image is 38K
Epidote -Hachures for atoms and polyhedra. The full image is 12K
MgO6coordination in forsterite. The full image is 14K
Albite twinin low albite (NaAlSi3O8). The full image is 44K
SHAPE forcrystal morphology
SHAPE is a program for drawing theexternal morphology (faces) ofcrystals and quasi-crystals, and also for drawing sections of crystals.It willdraw any single crystal and most twins and epitaxial intergrowths. Youenterthe crystal axis lengths and angles, the symbol for the crystal class,and oneface of each form (symmetry equivalent set). The crystal can be rotatedandscaled. A stereonet can be displayed with the crystal, or stereopairscan bedrawn automatically. Screen display and hard copy of evencomplex,interpenetrating intergrowths may be made in final finished form, withnoextraneous lines.
Quasi-crystals are crystal-like shapes withnon-crystallographic symmetrysuch as icosahedral. SHAPE comes with an auxiliary program forgenerating theCartesian symmetry matrices for any point symmetry group - the matricesforpentagonal and icosahedral groups are provided already.
Shape can draw sections through any crystal, at anyorientation and depth.Moreover, sections can be draw sequentially at given time intervals formodeling crystal growth in section. The growth rates of individualforms canbe constant with time, or can follow a general exponential growth-rateequation. This can be used to model the growth of twins, epitaxialintergrowthsand even intergrowths of non-related crystals.
Symmetry-consistent striations may be drawn on any or allforms. Centraldistances, which determine face sizes, can be changed interactivelywith themouse. Anaglyph (two-color stereopair) mode allows 3D viewing withstandardred-green glasses. Faces can be labeled with indices or form letters.
Note:SHAPE StandardEdition (lacking quasi-crystals and sections) is no longer offeredseparately.
New for Version 6.0. The 3Ddisplay mode, which uses the OpenGLsystem software can give greater realism and allows shaded depiction ofinterpenetrationtwins and epitaxial intergrowths. In this mode it is possibleto showsymmetry elements, that is rotation axes and mirror planes. VRML (3D)files also can now show symmetry elements. The Donnay-HarkerMorphologyoption can produce a list of forms with central distances dependent onthereticular density or X-ray d-spacing. The mouse cursor can beused toidentify faces, resize faces (forms) or rotate the crystal. New forms canbe added to truncate edges or corners selected with themouse. A newDialog Bar makes some common functions moreaccessible. Basiccrystallographic data can now be imported from a number of externalfile types(see File FormatsSupported).
New for Version 7.0 - 7.2.Additions include POV-Rayfiles androtation movies.
New for Version 7.3. Now supports3D stereoscopic viewing with either OpenGL quad-buffering or Microsoft Direct3D (DirectX).
New for Version 7.4. Supports writing files - StereoLithograph (.stl) and Wavefront (.obj) files - for direct output for 3D printing.
SHAPE for Windows V7.4. This is a 32-bit program which will run on Windows from XP on.
SHAPE for Macintosh V7.4. For Intel on OS 10.4 or later.
![Best Best](https://skyhawkstudios.files.wordpress.com/2012/09/3darticle32.jpg)
SHAPE for Linux/GTK V7.4. For Intel x86.
Crystal Libraries for SHAPE. The mainlibrary (700+ crystals) andsupplementary library (200+ crystals), are based on the historical setsofwooden models designed in the 19th century by P. Groth and marketed byF.Krantz. Compiled by Ulrich Burchart.
Viewsome SHAPE images in raster format (maytake some time to download).
Cubicmultiface. The full image is 13K
Hourglasszoning. The full image is 16K
Icosahedron.The full image is 7K
Calcitetwin. The full image is 7K
Phillipsitetwin. The full image is 16K
Striatedpyrite. The full image is 10K
Tourmaline.The full image is 6K
Hourglasszoning. The full image is 16K
Icosahedron.The full image is 7K
Calcitetwin. The full image is 7K
Phillipsitetwin. The full image is 16K
Striatedpyrite. The full image is 10K
Tourmaline.The full image is 6K
VIBRATZ for normal-coordinate vibrational analysis
This program will do a complete normal-coordinate calculationon any moleculeor crystal, using traditional valence force constants and/orUrey-Bradley forceconstants.
Input is: 1) the space group for crystals or polymers or thepoint group formolecules, selected from complete lists; 2) unit-cellparameters forcrystals; 3) coordinates of the atoms, either a symmetry-unique set orallatoms; 4) specifications for force constants in terms of atom types(typicallyatomic numbers) and bond distance and angle limits.
The calculation is ultimately done in Cartesian coordinates,not internalcoordinates, so there is no need to limit the number of force constantsor toprovide redundancy equations. Force-constant specificationscan be easilytransferred between structures. Forces may also be entered inthe form ofa Cartesian matrix, so that any (short-range) potential-energy functionmay beused.
Input data can be read from files with many crystallographicand molecularformats (see FileFormats Supported).
Output is: 1) a complete list of frequencies of thefundamental vibrationalmodes (optical or kappa=0 modes in the case of crystals); 2) atomicmotions ineach mode; 3) potential-energy distribution; 4) plot of the structurewithatomic motions; 5) synthetic infrared and Raman spectra.
VIBRATZ for Windows will run on any 32-bit Windows operatingsystem.VIBRATZfor Mac will run on OS8/9 or OS X (PPC and INTEL versions both supplied). VIBRATZ forLinux/GTK isfor Intel x86.
VIBRATZ2.0 has many additions, including: improved least-squaresmethods; Badger'srule variation of bond forces; new atom-by-atom options for forcespecification; potential-energy-distribution curves; z-matrix input foratomicpositions and display of observed spectra.
New for V2.1 - 2.3.Multiple isotope configurations and conversion of Cartesianforcesfrom GAUSSIAN or other programs to valence (internal) forces. Calculationof bond-length variation for EXAFS.
Add VIBRATZ to your Shopping Cart
3d Shape Download
CRYSCON– general crystallographicconversion utility – Shareware.
Data can be imported from (and exported to) several popularcrystallographicfile formats (see FileFormats Supported),through a 'free-form' file input, or entered manually.
You can convert to a sub-cell or super-cell or simply translate to a different origin or interchange axes; or any combination of these. You can convert to a sub- or super- symmetry group, or even a non-related space group. When converting to a sub-cell or to higher symmetry the positions of presumably coincident or superimposed atoms are averaged, and when converting to a super-cell or lower symmetry the extra symmetry-unique atoms which may be required are generated. In any case the result is a set of symmetry-unique atoms for the target cell and symmetry, suitable for entry into crystallographic software such as Fourier analysis, least-squares refinement or structure drawing.
Other features include computation of bond lengths and angles;simulation ofpowder diffractograms and precession photographs; transformation andreorientation of anisotropic temperature factors and magnetic or othervectors;and transformation of (hkl) index data, such as diffraction data.
New forversion 2.0 is linkage to the FINDSYMprogram by H. T. Stokes and D. M. Hatch, whichwilldetermine the space-group symmetry of atoms in a unit cell.
Cryscon is shareware – the registration fee is$60.
Download CRYSCONfor Linux.
File Formatssupported
The following external formats are supported for input byATOMS, SHAPE,VIBRATZ and CRYSCON (with some exceptions - for examplenon-crystallographicformats are not supported by SHAPE and CRYSCON). The variousShapeSoftware programs can read files written by each other. CRYSCON can writecrystallographic information in all the applicable formats.New formats areperiodically added.
COD - Crystallography Open Database. Download files as CIF.
CCDC FDAT - files from the Cambridge Crystallographic Data Centre.
SHELX (.INS) - files from the programsystem of G. Sheldrick.
CIF - Crystallographic Information Files.Includes mmCIF.
DBWS/LHPM - Rietveld input files.
ICSD Inorganic Crystal Structure Databasefiles.
Original - availableon-line through severalinstitutions
RETRIEVE and FINDIT– recent and current CDROMsoftware formats
CAN/SND - files fromCanadian NRC
WWW-sample database on line
ORTEP - original or ORTEP II atominformation.
XTLVIEW - Drawing program.
PDB - Protein Data Bankfiles.
RIETAN - Rietveld program files.
GSAS - Los Alamos Lab system -may include magnetic vectors.
AM MINERAL - Data files from the AmericanMineralogist structuredata base.
FULLPROF - All-purpose refinement program- may include magneticvectors.
IZA Zeolites- International Zeolite Associationfiles
Free-form - This allows input of atomic coordinates and other information from almost any source.
GAUSSIAN - Atomic coordinates will be read by ATOMS, and complete vibrational information byVIBRATZ from a log file.
RavelAtoms archive - This is for an XAFS program which is not the same as Shape Software ATOMS. The .inp file format is not the same as the ATOMS free-form format.
CCDC FDAT - files from the Cambridge Crystallographic Data Centre.
SHELX (.INS) - files from the programsystem of G. Sheldrick.
CIF - Crystallographic Information Files.Includes mmCIF.
DBWS/LHPM - Rietveld input files.
ICSD Inorganic Crystal Structure Databasefiles.
Original - availableon-line through severalinstitutions
RETRIEVE and FINDIT– recent and current CDROMsoftware formats
CAN/SND - files fromCanadian NRC
WWW-sample database on line
ORTEP - original or ORTEP II atominformation.
XTLVIEW - Drawing program.
PDB - Protein Data Bankfiles.
RIETAN - Rietveld program files.
GSAS - Los Alamos Lab system -may include magnetic vectors.
AM MINERAL - Data files from the AmericanMineralogist structuredata base.
FULLPROF - All-purpose refinement program- may include magneticvectors.
IZA Zeolites- International Zeolite Associationfiles
Free-form - This allows input of atomic coordinates and other information from almost any source.
GAUSSIAN - Atomic coordinates will be read by ATOMS, and complete vibrational information byVIBRATZ from a log file.
RavelAtoms archive - This is for an XAFS program which is not the same as Shape Software ATOMS. The .inp file format is not the same as the ATOMS free-form format.
VRML (X3D) Files
VRML (Virtual Reality Modeling Language) files contain 3-dimensional information which is intended to recreate virtual worlds ofalltypes. These files are a subset of the more extensive X3D standard. VRMLfiles are platform-independent. Both ATOMS and SHAPE will write filesof thistype. The structures or crystals can be rotated and rescaled. In orderto viewsuch files, you need a 3-D plug-in for your Web Browser, or astand-aloneviewer. The CosmoPlayerand Cortona viewers areamong the most popular plug-ins for Internet Browsers. See Web3D.org forthe latest information on viewers.
View some VRML (3D) files. Requires a 3D plug-in andmay take some timeto download
Forsterite fragment (ATOMS). Thefull image is 19K
Cavities in zeolite ZSM5 (ATOMS).The full image is264K
Calcite twin(SHAPE). The full image is 38K
Symmetryelements in crystal class b3m (SHAPE). The full image is 37K
Cavities in zeolite ZSM5 (ATOMS).The full image is264K
Calcite twin(SHAPE). The full image is 38K
Symmetryelements in crystal class b3m (SHAPE). The full image is 37K
![Software Software](https://i.ytimg.com/vi/M4PXdb1l2RQ/maxresdefault.jpg)
Download Demos– CurrentReleases
SHAPE for Windows V7.4 Demo (3.4M)
VIBRATZ for Windows V2.3 Demo (2.9M)
CRYSCON for Windows v2.0 (Shareware) (2.2M)
SHAPE and ATOMS for Windows require that Microsoft DirectX 9 or later be installed. If you get a message when you start up such as 'd3dx9_42.dll not found' you should update to the latest DirectX. The best way to do this is directly from Microsoft:
An alternative, which is not recommended, is to install those files which are needed. As best as can be determined, at least the following are needed:
d3dx9_42.dll
d3d9.dll
d3d8thk.dll
These are usually installed in the WindowsSystem32 directory. Installing dll's may require expert knowledge and incorrect installation may damage your system.
Demos for Macintosh - for Intel
All these programs are 32-bit and will run on Macintosh systems up to Mojave (OS 10.14), but will not run on Catalina (OS 10.15) which is 64-bit only. There are several ways to have both Catalina and older (32-bit) OS versions running on a single Macintosh - how to set this up isdiscussed on a separate page. Current Mac users may also be eligible for free or low-cost switch to the Windows version. Contact [email protected].
The Mac demo are in the form of .pkg installation files. After downloading and uncompressing, right-click on the package file and go ahead with the installation. By default the entire program folders are installed into the Applications folder on your hard disk but you can select another location.
3shape Stl Viewer
SHAPE for Macintosh V7.4 Demo (4.0M)
VIBRATZ for Macintosh V2.3 Demo (3.2M)
CRYSCON for Macintosh V2.0(Shareware) (1.8M)
Demos for Linux/GTK.
ATOMS for Linux/GTK V6.5 Demo (13.8M)
SHAPE for Linux/GTK V7.4 Demo (11.5M)
CRYSCON for Linux/GTK V2.0 (Shareware) (4.6M)
Linux Demos all use the GTK environment (Intel x86 processor).
Detailed Linuxinstallation instructions.
These Linux demos use fairly recent versions of the shared libraries. ATOMS and SHAPE have the Mesa OpenGL libraries statically linked so you do not need to have the dynamic versions of these libraries on your system. The Old Demos for Linux/GTK may be more satisfactory if you have an older Linux system, though they do require your system to have Mesa OpenGL with OSMesa.
As of 2003, all new versions of Shape Software programs arebased on the wxWidgetscross-platform developmentframework, rather than the Microsoft Foundation Classes.
3d Shape Software Free
Bound instruction manuals have been discontinued.Each program has a manualin PDF form, which can be printedout.The Helpsystem provided foreach program contains all the material in the instructions.
Prices and OrderingInformation
Goto the SHOPPING CARTfor direct credit-card purchases. We now use PayPal, supporting VISA, MasterCard, American Express, Discover Card and Paypal accounts.
The following prices are for distribution directlybydownload or otherwise electronically as may be arranged. The instruction manual is included in electronic PDFform (see www.adobe.comfor the free Adobe Acrobatreader).
Due to increasing postal rates and more complex customs rules we can no longer offer free shipping of CD-ROMs. Postal shipping of all the CD-ROMS in your order may be added as separate items at extra cost (see prices below)
For Linuxversions, pleasedownload the demos and install before ordering.
Goto the SHOPPING CARTfor direct credit-card purchase.
ForUPDATES, Call or email with your old version number(s) and/or purchase date. Then, go to the Updates category in the shopping cart and enter the amount you are given. If the amount is larger than the maximum, add items to get the correct total.
The above prices are for single-user licenses, allowing use by one person ata time (not restricted to a single computer).Departmental site licenses, for use by up to 12 persons at a time in asingledepartment or institute, are double the above prices. Inquire aboutother typesof license or pricing packages.Weaccept American Express, VISA, MasterCard or Discover Card (through PayPal - go to SHOPPING CART); company or institutionalpurchaseorders; postal money orders: and personal checks (U.S.A. only).Non-U.S.A. customers please use acredit card (through the Paypal portal), orsend an international money order, or a check or draft on a U.S. Bank(thebank routing number must be written on the check or draft).
SHAPEhas been marketed since 1987, and ATOMS since 1989. Both are in use inuniversities and research laboratories throughout the world.
Asalways, technical support by email is free.
ShapeSoftware
521 Hidden Valley Road
Kingsport, TN 37663 USA
Email:
[email protected]
10/10/2019