SDFset2SDF {ChemmineR}R Documentation

SDFset to list with many SDF

Description

Returns object of class SDFset as list were each component consists of an SDF object.

Usage

SDFset2SDF(x)

Arguments

x

object of class SDFset

Details

...

Value

list

containing one or many SDF objects

Author(s)

Thomas Girke

References

SDF format definition: http://www.symyx.com/downloads/public/ctfile/ctfile.jsp

See Also

Functions: sdfstr2list, sdf2str, sdf2list, SDFset2list

Examples

## Instance of SDFset class
data(sdfsample); sdfset <- sdfsample
sdfset 

## Returns sdfset as list
SDFset2SDF(sdfset[1:4])
as(sdfset, "SDF")[1:4] # similar result
view(sdfset[1:4]) # same result


[Package ChemmineR version 3.44.0 Index]