CCL: Announcement - Gaussian tools in CCL archive

From: phung(-(at)-)spin.chem.utah.edu (Cu Phung)
Subject: CCL: Announcement - Gaussian tools in CCL archive
Date: Fri, 19 Aug 1994 11:28:49 -0600
 To the CCL,
 	I have just updated a set of shell scripts and small programs that I
 used to manipulate GAUSSIAN output files.  Thanks to Jan!  The package is now
 in the CCL archive.  I've included the README file and instructions on how to
 retrieve the package following this message.
 - CGP -
 ================================ README =====================================
 	GAUSTOOL is a set of C-shell scripts that manipulate GAUSSIAN output
 file by extracting cartesian coordinates in XMOL's XYZ format or Z-matrix
 parameters.  The description for each script are as follows:
 	gausout - to extract cartesian coordinates from GAUSSIAN output files
 		(require the countatom program)
 		Usage: gausout filename [filenames...]
 	goptout - to extract the convergency values from GAUSSIAN output files
 		(Useful in monitoring optimization)
 		Usage: goptout filename [filenames...]
 	goptpar - to extract the Z-matrix from GAUSSIAN output files
 		Usage: goptpar filename [filenames...]
 	irccoor - to extract the cartesian coordinates from a GAUSSIAN IRC
 		output files (require goptout, gausout, countatom, countevent,
 		and optfout)
 		Usage: irccoor filename [filenames...]
 	ircout - to extract the the Z-matrix from GAUSSIAN IRC output files
 		Usage: ircout filename [filenames...]
 	All the C-shells script use Unix utilities like: sed, grep, wc, and cut.
 	The programs optfout, countatom, and countevent are written in both
 C and FORTRAN.  The optfout.f uses the IBM's xlf FORTRAN extension getarg which
 may not exist on other systems.
 	The Makefile is for the C programs.  If you wish to use the xlf version
 of the program, the Makefile.xlf is provided.
 	To install GAUSTOOL, first edit the Makefile to specify your system's
 install program in INSTALL.  On AIX system, it is /usr/ucb/install.  You may
 also want to specify the directory where these tools will be installed by
 changing the BINDIR.  The default is /usr/local/bin.  After you have made the
 changes, typing 'make install' will compile and install the scripts and programs
 for you.  If you are installing the tools in system directory, please make sure
 you have privilege to do so.
 	I hope these tools are useful to the GAUSSIAN user community.  Please
 let me know what I can do to improve these tools.
 Cu G. Phung, PhD.
 Dept. of Chemistry
 Univ. of Utah
 Salt Lake City, Utah 84112
 phung(-(at)-)spin.chem.utah.edu
 ===============================================================================
 They can be retrieved:
 via anon.ftp on www.ccl.net from directory
     /pub/chemistry/software/UNIX/gaussian-utilities
 via gopher:
   gopher www.ccl.net 73
     software
       UNIX
         gaussian-utilities
 via e-mail by sending a message:
   select chemistry
   cd software/UNIX/gaussian-utilities
   get README
   get gaustool.tar.Z
   quit
 to MAILSERV(-(at)-)ccl.net
 and via WWW
   http://www.ccl.net/~ccl/software.html
     UNIX, gaussian-utilities