header {ChemmineR} | R Documentation

## Return header block

### Description

Returns header block(s) from an object of class SDF or SDFset.

### Usage

    header(x)

### Arguments

`x` | object of class `SDF` or `SDFset`

### Details

...

### Value

named `character` vector if `SDF` is provided or `list` of named `character` vectors if `SDFset` is provided

### Author(s)

Thomas Girke

### References

...

### See Also

`atomblock`, `atomcount`, `bondblock`, `datablock`, `cid`, `sdfid`

### Examples

    ## SDF/SDFset instances
    data(sdfsample)
    sdfset <- sdfsample
    sdf <- sdfset[[1]]

    ## Extract header block
    header(sdf)
    header(sdfset[1:4])

    ## Replacement methods
    sdfset[[1]][[1]][1] <- "test"
    sdfset[[1]]
    header(sdfset)[1] <- header(sdfset[2])
    view(sdfset[1:2])

[Package ChemmineR version 3.44.0 Index]