This section explains the xyz2towhee Towhee utility program. This program converts simple xyz format files into a series of files that can
be used to construct a towhee_coords file for Towhee.
xyz2towhee may be compiled using the Utility Makefile
This will create the xyz2towhee.x executable which can then be run from the command line.
- cd /towheebase/Utils
- make xyz2towhee
When you run this program from the command line it will ask you for the name of an XYZ format file to read in and it will output coordinate file
to a series of default files labelled something like fort.41, fort.42, etc. where the final digit of the filename corresponds to the
molecule type in the original XYZ file.
Return to the Utility Summary page
- Please enter a filename
The name of the XYZ file you wish to translate into Towhee format.