<html> <head> <title>MCCCS Towhee (faux2towhee)</title> </head> <body bgcolor="#FFFFFF" text="#000000"> <table width="675" border="0" cellspacing="0" cellpadding="0" height="590"> <tr> <td colspan="2" height="29"> <div align="center"> <font size="5"> <b><font face="Arial, Helvetica, sans-serif"><a name="top"></a>MCCCS Towhee (faux2towhee)</font></b> </font> </div> </td> </tr> <A href="http://sourceforge.net"> <IMG src="http://sourceforge.net/sflogo.php?group_id=87039&type=5" width="210" height="62" border="0" alt="SourceForge.net Logo" align="right"/> </A> <tr> <td width="18" height="371" valign="top"> <p> </p> <p> </p> </td> <td width="697" valign="top"> <dt><b>Overview</b> <ul> 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. </ul> </dt> <dt><b>Compiling</b> <ul> faux2towhee may be compiled using the Utility Makefile <ul> <dt>cd /towheebase/Utils</dt> <dt>make faux2towhee</dt> </ul> This creates the faux2towhee executable that can then be run from the command line. </ul> </dt> <dt><b>Features</b> <ul> 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 <a href="../examples/example_manual.html#Catlow_Zeolite_4a">Catlow_Zeolite_4a</a> example. </ul> </dt> <a href="utility_summary.html">Return to the Utility Summary page</a> <p> </p> </td> </tr> </table> <hr width="715" align="left"> <i><font size="2">Send comments to:</font></i> <font size="2"> <a href="mailto:marcus_martin@users.sourceforge.net">Marcus G. Martin</a><br> <i>Last updated:</i> <!-- #BeginDate format:Am1 -->June 11, 2009<!-- #EndDate --> </font> <br> </body> </html>