sdf.visualize: Visualize an SDFset online using ChemMine Tools

In girke-lab/ChemmineR: Cheminformatics Toolkit for R

Visualize an SDFset online using ChemMine Tools

Description

'sdf.visualize' will take an SDFset object and send the compounds to the ChemMine Tools website, for visualization and futher analysis. The results are launched in the users web browser.

Usage

sdf.visualize(sdf)

Arguments

sdf	A SDFset object which containing the given compounds

Value

Returns the URL of the webpage containing all the SDFs and 2D images corresponding to the selected compounds.

Author(s)

Tyler Backman

References

ChemMine Tools web service: http://chemmine.ucr.edu

See Also

cmp.parse, sdf.subset, plotStruc

Examples

## Load sample SD file
data(sdfsample)
sdfset <- sdfsample

## Not run: 
## Plot structures using web service ChemMine Tools
sdf.visualize(sdfset[1:4])

## End(Not run)

girke-lab/ChemmineR documentation built on July 28, 2023, 10:36 a.m.