DROT
DROT a b c d theta1 theta2
This command does a crude conformation search, systematically
twisting around two torsion angles.
Twist a-b in increments of Theta1 and c-d in increments of
Theta2 to create all possible combinations..
DROT will write out all the structures it creates,
except the one it is given. If DROT is at the end of a command
file, or if it is followed by a WRIT command, this starting
structure will also be written out.
If the angles are negative, then only one change is included. This is
useful for looking at benzyl groups, because the C-C bond may need to
be twisted by 90 degrees, but not by 180 degrees and 270 degrees.
Acca and Acca documentation:
© 1996,1997 J M Goodman, Cambridge.
Acca documentation may not be copied
without the written permission of the author.
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