Subject: Crystal Packing

From: <[email-masked]>
Date: Wed, 13 Mar 1996 09:35:34 -0500 (EST)

I have uploaded the source code for my crystal packing program with
CCL.  The program can be found at:
 
  ftp://ccl/ccl.net/pub/chemistry/software/SOURCES/FORTRAN/drawcrys
 
  In this directory there are seven files.  The FORTRAN code for my
program is called DRAWCRYS.FOR.  A complied version of this program
is just DRAWCRYS.  This was complied by MS FORTRAN Powerstation. These
programs are based on modifications of the old Oak Ridge crystallo-
graphic program ORFEE.  I've included the ORFEE source code and the
complete instruction manual.  There is also a complete OFREE input
file based on cytidylic acid.  This is called CYTIDYL.ORF.  To make
sure ORFEE is working, I've included a test output file called
CYTIDYL.OUT.  There is a brief description of the program in a
README file.
 
  This is only a first attempt at solving this problem.  Please let
me know about any problems that develop in using this program.  I will
try to incorporate suggested improvements in a revision.
 
  Thanks for Jan Labanowski, our fearless List Administrator, for help
getting this far, and for calming my nerves this morning after I was
flammed.
 
  Regards, Dave Close.