sdf2list: 'SDF' to 'list'

In ChemmineR: Cheminformatics Toolkit for R

Description

Returns objects of class SDF as list.

Usage

sdf2list(x)

Arguments

x	object of class SDF

Details

...

Value

list	with following components:
character	SDF header block
matrix	SDF bond block
matrix	SDF atom block
character	SDF data block

Author(s)

Thomas Girke

References

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

See Also

Functions: sdfstr2list, sdf2str, SDFset2list, SDFset2SDF

Examples

## Instance of SDF class
data(sdfsample); sdfset <- sdfsample
sdf <- sdfset[[1]]

## Return as list
sdf2list(sdf)
as(sdf, "list") # similar result

ChemmineR documentation built on Feb. 28, 2021, 2:02 a.m.