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Installation

  1. MµCalc requires:
    • An operating system (tested on Ubuntu Linux, Mac OS X and Windows)
    • Python (tested on v2.5–2.7; v2.6+ is better as JSON support is built in; not compatible with Python 3)
    • Also, optionally:
      • PyCifRW, which allows importing of crystal structures in the widely-used CIF (Crystallographic Information File) format. Various methods of downloading and installing are suggested on the PyCifRW homepage. If you are a Windows user, the simplest way it to download PyCifRW-3.1.win32.exe from the International Union of Crystallography website.
      • POV-Ray, a standalone, cross-platform, open-source raytracing program, if you wish to render exported 3D .pov files.
  2. Unzip to an appropriate location.

The simplest way to get MµCalc up and running is to go to the VPython download page (Mac, Windows) and download the version of Python linked from there followed by VPython itself. VPython will install NumPy too, so this should leave you good to go.

Running

Linux, Mac and Windows command line

  1. Open a terminal window and navigate to the installation directory.
  2. Type python mmcalc.py and press enter. (Windows users can optionally type just mmcalc and press enter.)

Windows GUI

  1. Double-click on mmcalc.cmd.
install.txt · Last modified: 2011/11/07 09:03 by statto