TRAFO: coordinate transformations Version 2.5.8 (19.05.2021) Contents: [General - Changes - Availability]

General:

• a 32 bit Windows program to perform transformations of fractional and Cartesian coordinates under MS Windows XP and above
• input of coordinates via a built-in Notepad-like editor window or from file, output is always directed to a file
• the file format should correspond to Alchemy II crystal files: the first line lists the unit cell constants, length of axes and angles between them, followed by entries for the atoms themselves, label and x,y,z coordinates
• generate symmetry related sites via symmetry operations (sufficient for most space groups)
• generate a cube of several unit cells
• calculation of NMR dipolar second moments for powder or single crystal samples
• transform fractional coordinates from an oblique system into a Cartesian system
• perform forwards and backwards Euler rotations of Cartesian coordinates
• convert Cartesian coordinates into polar coordinates
• calculation of normal vectors
• have a look at the help file, if you need more details: PDF (2.1 MB)

Changes in 2.5.8 (19.05.2021):

• Bug fix: newer versions of Adobe Acrobat (Reader) should be supported for context sensitive help. (I am installing Acrobat only occasionally, hence I am not always able to check.)
• (Bug) fix: the nuclear tables had a wrong magnetogyric ratio for 207Pb; see Dipolar Second Moment

Availability

Trafo is available in two flavors:

1. Download the setup program for Trafo (2.4 MB). Administrator privileges may be necessary to run the installer. To install Trafo, transfer the package to your PC into a directory of our choice and execute the installer. Follow the on-screen instructions.
2. Download the portable version of Trafo (2.1 MB) and extract the zip file into a subdirectory of your choice.

If you have problems, please feel free to contact us. Also, we would be glad to receive other feedback, e.g. bug reports, features you are missing but might be included in later versions, or questions. You could use, for example, the questionnaire in the help file as a template for your reply.