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MCCCS Towhee (faux2towhee)

 

 

Overview
    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.
Compiling
    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.
Features
    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

 


Send comments to: Marcus G. Martin
Last updated: June 11, 2009