write.SMI: SMI export function
In girke-lab/ChemmineR-git-svn-bridge: Cheminformatics Toolkit for R

Description Usage Arguments Details Author(s) References See Also Examples

Writes one or many molecules stored in a SMIset object to a SMILES file.

1	write.SMI(smi, file, cid = TRUE, ...)

`smi`	object of class `SMIset`
`file`	name of SMILES file to write to
`cid`	if `cid = TRUE` the compound identifiers will be exported by appending them in tab-separated format to each SMILES string
`...`	option to pass on additional arguments

...

Thomas Girke

SMILES (Simplified molecular-input line-entry system) format definition: http://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system

Functions: write.SDF

## Instance of SMIset class
data(smisample); smiset <- smisample

## Write objects of classes SMIset to file with and 
## without compound identifiers
# write.SMI(smiset[1:4], file="sub.smi", cid=TRUE)
# write.SMI(smiset[1:4], file="sub.smi", cid=FALSE)