plotStructures {rcellminer} | R Documentation |
Plot Structures
plotStructures(ids, smiles, titleCex = 1, structSize = 300, structAnnotPos = 50, mainLabel = "", rows = 1, cols = length(ids))
ids |
a vector of strings of IDs used as structure titles |
smiles |
a vector of strings where the strings are SMILES structures |
titleCex |
a number, the scaling factor for the title (default: 1) |
structSize |
a number, the size of the structure image (default: 200) |
structAnnotPos |
a number, how far above the structure to display the title (default: 50) |
mainLabel |
a string, the main plot label |
rows |
number of rows in figure (default: 1) |
cols |
number of columns in figure (default: input structures number) |
The parameter ids is used as a title, this function does not search for IDs, but works based off the smiles given. This is a wrapper around rcdkplot for plotting multiple structures.
the function does not return anything
Augustin Luna <augustin AT mail.nih.gov>
drugAnnot <- as(featureData(getAct(rcellminerData::drugData)), "data.frame") plotStructures("94600", drugAnnot["94600","SMILES"]) plotStructures(c("609699", "94600"), drugAnnot[c("609699", "94600"),"SMILES"], mainLabel=c("609699", "94600"))