plotStructures {rcellminer} | R Documentation

## Plot Structures

### Description

Plot Structures

### Usage

    plotStructures(ids, smiles, titleCex = 1, structSize = 300,
      structAnnotPos = 50, mainLabel = "", rows = 1, cols = length(ids))

### Arguments

`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)

### Details

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.

### Value

the function does not return anything

### Author(s)

Augustin Luna <augustin AT mail.nih.gov>

### Examples

    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"))

[Package rcellminer version 2.8.0 Index]