File mmconv.tar.Z contains a complete compressed tar archive of all files in mmconv distribution and even this README file. 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.