SDFset2list {ChemmineR} | R Documentation

## `SDFset` to `list`

### Description

Returns object of class `SDFset` as `list` where each component conists of a `list` of the four SDF sub-components: header block, atom block, bond block and data block.

### Usage

    SDFset2list(x)

### Arguments

`x` | object of class `SDFset`

### Details

...

### Value

`list` | containing one or many lists each 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`, `sdf2list`, `SDFset2SDF`

### Examples

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

    ## Returns sdfset as list
    SDFset2list(sdfset[1:4])
    as(sdfset, "list")[1:4] # similar result

[Package ChemmineR version 3.39.2 Index]