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Overview
This section describes 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.
Compiling
xyz2towhee is compiled using the Utility Makefile.
cd /towheebase/Utilsmake xyz2towhee
This creates the xyz2towhee executable that is run from the command line.
Features
When you run this program from the command line it asks for the name of an XYZ format file to read in and it outputs 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.
- Please enter a filename
The name of the XYZ file you wish to translate into Towhee format.
Return to the Utility Summary page
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