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
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