sdfstr2list: 'SDFstr' to 'list'

In girke-lab/ChemmineR: Cheminformatics Toolkit for R

SDFstr to list

Description

Returns objects of class SDFstr as list.

Usage

sdfstr2list(x)

Arguments

x	object of class SDFstr

Details

...

Value

list	with many of the following components:
character	SDF content of one molecule vectorized line by line

Author(s)

Thomas Girke

References

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

See Also

Functions: sdf2list, sdf2str, SDFset2list, SDFset2SDF

Examples

## Instance of SDFstr class
data(sdfsample); sdfset <- sdfsample
sdfstr <- as(sdfset, "SDFstr")

## Return as list
sdfstr2list(sdfstr)
as(sdfstr, "list") # similar result

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