ChemmineR (version 2.24.2)

sdf2list: SDF to list

Description

Returns objects of class SDF as list.

Usage

sdf2list(x)

Arguments

x

object of class SDF

Value

list

with following components:

character

SDF header block

matrix

SDF bond block

matrix

SDF atom block

character

SDF data block

Details

...

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