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Program q2m converts cartesian coordinate table to a SYBYL MOL file
readme - this file

bin subdirectory holds binary versions for different machines:
(remember to set binary transfer  when retrieving these files with ftp)
 158432 Dec 22 11:23 q2m.cray.ymp  (CRAY-YMP)
  35896 Dec 22 11:21 q2m.rs6000    (RS6000)
  75072 Dec 22 11:21 q2m.sgi       (SiliconGraphics)
  40960 Dec 22 11:21 q2m.sun-spark (Sun-Spark)

doc subdirectory has documentation:
   6779 Dec 22 11:29 q2m.ascii  (Plain ASCII doc)
   7429 Dec 22 11:28 q2m.man    (processed by nroff -man, to use with UNIX)
  19822 Dec 22 11:27 q2m.ps     (PostScript version to print)
   5762 Dec 22 11:27 q2m.troff  (troff source for a man page)

test subdirectory contains a few examples:
    814 Dec 22 11:39 SAXYZ-B.MOL  (resulting MOL file)
    901 Dec 22 11:39 SAXYZ-B.dat  (cartesian coordinates)
    814 Dec 22 11:39 SCXYZ-B.MOL
   1092 Dec 22 11:39 SCXYZ-B.dat
    376 Dec 22 11:39 SCXYZSSS-B.MOL
    390 Dec 22 11:39 SCXYZSSS-B.dat
    706 Dec 22 11:39 SXYZM-B.MOL
    950 Dec 22 11:39 SXYZM-B.dat
    319 Dec 22 11:39 runexamples  (script to run the examples)


Enjoy if you can,
Jan Labanowski
Ohio Supercomputer Center
jkl@ccl.net
Modified: Wed Oct 13 16:00:00 1993 GMT
Page accessed 5849 times since Sat Apr 17 21:24:41 1999 GMT