Calculate the Ratio of Length to Breadth Descriptor
Parsed molucule object.
Logical. Whether the calculating process
should be shown or not, default is
Calculates the Ratio of Length to Breadth, as a result ti does not perform any orientation and only considers the X & Y extents for a series of rotations about the Z axis (in 10 degree increments).
A data frame, each row represents one of the molecules,
each column represents one feature.
This function returns two columns named
LOBMAX - The maximum L/B ratio;
LOBMIN - The L/B ratio for the rotation that results in the
minimum area (defined by the product of the X & Y extents for that orientation).
The descriptor assumes that the atoms have been configured.
Nan Xiao <http://nanx.me>
1 2 3 4 5