| plotMCS {fmcsR} | R Documentation |
Convenience plotting function to visualize and compare MCSs generated by fmcs function.
plotMCS(x, mcs = 1, print = FALSE, ...)
x |
|
mcs |
Selection of MCS solution by position number, default is 1. |
print |
|
... |
Arguments to be passed to/from other methods. |
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.
Prints summary of MCS to screen and plots their structures to graphics device.
...
Yan Wang
...
sdf.visualize
library(fmcsR) data(sdfsample) sdfset <- sdfsample mcs <- fmcs(sdfset[[1]], sdfset[[2]], au=2, bu=1, matching.mode="aromatic") plotMCS(mcs, mcs=1)