plotMCS: Plot MCS

In fmcsR: Mismatch Tolerant Maximum Common Substructure Searching

Description

Convenience plotting function to visualize and compare MCSs generated by fmcs function.

Usage

plotMCS(x, mcs = 1, print = FALSE, ...)

Arguments

x	MCS object
mcs	Selection of MCS solution by position number, default is 1.
print	print=FALSE turns of printing behavior of class.
...	Arguments to be passed to/from other methods.

Details

The two structures, target and query, used to generate x with a call to fmcs are plotted next to each other, and the corresponding MCS substructures are highlighted in color.

Value

Prints summary of MCS to screen and plots their structures to graphics device.

Note

...

Author(s)

Yan Wang

References

...

See Also

sdf.visualize

Examples

library(fmcsR)
data(sdfsample)
sdfset <- sdfsample
mcs <- fmcs(sdfset[[1]], sdfset[[2]], au=2, bu=1, matching.mode="aromatic")
plotMCS(mcs, mcs=1)

Example output

Loading required package: ChemmineR

fmcsR documentation built on Nov. 8, 2020, 6:57 p.m.