iRASPA

Productivity

Only for Mac

Free

Mac

iRASPA is a visualization package (with editing capabilities) aimed at material science. Examples of materials are metals, metal-oxides, ceramics, biomaterials, zeolites, clays, and metal-organic frameworks. iRASPA is exclusively for macOS and as such can leverage the latest visualization technologies with stunning performance. iRASPA extensively utilizes GPU computing. For example, void-fractions and surface areas can be computed in a fraction of a second for small/medium structures and in a few seconds for very large unit cells. It can handle large structures (hundreds of thousands of atoms), including ambient occlusion, with high frame rates. Via iCloud, iRASPA has access to the CoRE Metal-Organic Frameworks database containing approximately 8000 structures. All the structures can be screened (in real-time) using user-defined predicates. The cloud structures can be queried for surface areas, void fraction, and other pore structure properties. Main features of iRASPA are: • structure creation and editing, • creating high-quality pictures and movies, • ambient occlusion and high-dynamic range rendering, • collage of structures, • (transparent) adsorption surfaces, • text-annotation, • primitives like cylinders, spheres, and polygonal prisms. • cell replicas and supercells, • symmetry operations like space group and primitive cell detection, • screening of structures using user-defined predicates, • GPU-computation of void-fraction and surface areas in a matter of seconds. iCloud structure databases: • CoRE Metal-Organic Framework database, • IZA zeolite structures. Input formats: • CIF, • mmCIF, • PDB, • XYZ. • VASP POSCAR/CONTCAR/XDATCAR and CHGCAR/LOCPOT/ELFCAR. • Gaussian cube files. Output: • CIF-, mmCIF-, PDB-, POSCAR-, or XYZ-files for structures, • 8/16 bits, RGB/CMYK, loss-less TIFF for pictures, • mp4 (h264) for movies.

Ratings & Reviews

  • This app hasn’t received enough ratings or reviews to display an overview.

• Bug-fix: allow Gaussian cube-file with no atoms.

Version 2.3.6

The developer, David Dubbeldam, indicated that the app’s privacy practices may include handling of data as described below. For more information, see the developer’s privacy policy .

  • Data Not Collected

    The developer does not collect any data from this app.

    Privacy practices may vary, for example, based on the features you use or your age. Learn More

    Accessibility

    The developer has not yet indicated which accessibility features this app supports. Learn More

    Information

    • Seller
      • David Dubbeldam
    • Size
      • 179.2 MB
    • Category
      • Productivity
    • Compatibility
      Requires macOS 11.0 or later.
      • Mac
        Requires macOS 11.0 or later.
    • Languages
      English and 11 more
      • English, Arabic, Dutch, German, Hindi, Japanese, Korean, Persian, Portuguese, Russian, Simplified Chinese, Spanish
    • Age Rating
      4+
    • Copyright
      • © 2017 David Dubbeldam
  • Privacy Policy