header: Return header block

In girke-lab/ChemmineR: Cheminformatics Toolkit for R

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])

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