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Jan Labanowski, jkl@ccl.net

===========================
11 February 1994

Purpose:
   This file describes how to make the utility program NEWGEO.

Brief description of distribution:
   Two subdirectories are supplied.  The first, called "utility" is a
   utility library of routines used by NEWGEO (and other programs).  The
   second, "newgeo" contains the greatly abbreviated source code to the
   NEWGEO program (only SYBYL mol/mol2 and MM2/MM3 file conversions).

Contact:
   Dr. Dora Schnur
   Mail Stop U3E
   Monsanto Agricultural Group
   800 North Lindbergh Boulevard
   St. Louis Missouri 63167 USA

   Phone: (314) 694-1563   (Timezone is GMT+6)
   Email: dmschn@bb1t.monsanto.com

Conditions:
   This program is copyright 1994 by Monsanto Company.  It is provided
   without support of any kind.  No warranty as to suitability of use
   for any purpose is extended.

   Please notify Dora Schnur at the above contact address if you obtain
   a copy of this program.  We would also appreciate bug reports and any
   enhancements you may make to the code.

Contents:
   release/
      README.newgeo	- this file.

      utility/
         utility.make	- make file to build the utility library.
         utility.h	- the header file describing the library routines.
         *.c		- the source to the utility.a library.

      newgeo/
         newgeo.make	- make file to build NEWGEO program.
         newgeo.h	- header file for NEWGEO.
         *.c		- source to abbreviated NEWGEO program.

Procedure:

1. NEWGEO compilation requires two environment variables (used in make file).
   Define LOCAL_INCLUDES to be whatever directory contains the "utility.h"
   header file (distributed in release/utility).  Define LOCAL_LIBS to
   be the directory that contains the "utility.a" library (also distributed
   in release/utility).  Alternatively, modify the newgeo.make and
   utility.make files to use explicit paths rather than these environment
   variables.

2. Cd to the utility directory and say "make -f utility.make".  This builds
   the utility library used in the next step.

3. Cd to the newgeo directory and say "make -f newgeo.make".  The executable
   is called "newgeo".

Caveats:

1. The full NEWGEO source was rudely truncated to the modules of interest.
   The distribution compiles and links fine.  When run, many more choices
   are prompted for than are really available (only SYBYL and MM2/MM3 are
   really options).

2. No testing was done on the abbreviated executable.

Modified: Sun Feb 13 17:00:00 1994 GMT
Page accessed 4823 times since Sat Apr 17 21:32:58 1999 GMT