MCCCS Towhee (faux2towhee)



    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
      cd /towheebase/Utils
      make faux2towhee
    This creates the faux2towhee executable that can then be run from the command line.
    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.
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Send comments to: Marcus G. Martin
Last updated: June 11, 2009