This section explains the faux2towhee utility program. This program is designed to translate some zeolite coordinate files that were kindly provided
to me by David Faux into a format suitable for Towhee. This utility is unlikely to be of use to anyone else, but may serve as an example for other
one-time file translations.
faux2towhee may be compiled using the Utility Makefile
This creates the faux2towhee executable that can then be run from the command line.
- cd /towheebase/Utils
- make faux2towhee
This is a very crude routine and requires the user to edit the Fortran code in order to set variables like the file names and Towhee inpstyle.
It requires two files named faux_4a.atoms and faux_4a.ang and it outputs a towhee_altinp and towhee_coords file that were used to setup
the zeolite portion of the Catlow_Zeolite_4a example.
Return to the Utility Summary page