read.SDFstr: SD file to 'SDFstr'
In girke-lab/ChemmineR-git-svn-bridge: Cheminformatics Toolkit for R

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

Imports one or many molecules from an SD/MOL file and stores it in an SDFstr container.

1	read.SDFstr(sdfstr)

sdfstr

path/name to an SD file; alternatively one can pass on a character vector containing lines of an SD file

...

SDFstr

for details see ?"SDFstr-class"

Thomas Girke

SDF format defintion: http://www.symyx.com/downloads/public/ctfile/ctfile.jsp

Functions: read.SDFset

## Write instance of SDFstr class to SD file
data(sdfsample); sdfset <- sdfsample
sdfstr <- as(sdfset, "SDFstr")
# write.SDF(sdfset[1:4], file="sub.sdf")

## Import SD file 
# read.SDFstr("sub.sdf")

## Pass on SDFstr object
sdfstr <- as(sdfset, "SDFstr")
read.SDFset(sdfstr)