CCL Home Page
http://server.ccl.net/pub/chemistry/software/UNIX/cart-to-Sybyl-MOL-file/test/runexamples.shtml
Up Directory CCL runexamples
test
SAXYZ-B.MOL, SAXYZ-B.dat, SCXYZ-B.MOL, SCXYZ-B.dat, SCXYZSSS-B.MOL, SCXYZSSS-B.dat, SXYZM-B.MOL, SXYZM-B.dat, runexamples 

q2m -s SAXYZ -n 'FM-complx' -m B -i /loclib/q2m/test/SAXYZ-B.dat -o SAXYZ-B.MOL
q2m -s SCXYZ -n 'FM-complx' -m B -i /loclib/q2m/test/SCXYZ-B.dat -o SCXYZ-B.MOL
q2m -s SCXYZSSS -n HCOOH -m B < /loclib/q2m/test/SCXYZSSS-B.dat >SCXYZSSS-B.MOL
q2m -s SXYZM -n Propanal -m B -i /loclib/q2m/test/SXYZM-B.dat > SXYZM-B.MOL

[ CCL Home Page ]
[ test ]
[ Raw Version of this page ]

Modified: Tue Dec 22 17:00:00 1992 GMT
Page accessed 459 times since Tue Mar 15 08:26:26 2005 GMT