SDFset2list {ChemmineR} | R Documentation |
SDFset
to list
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.
SDFset2list(x)
x |
object of class |
...
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 |
Thomas Girke
SDF format definition: http://www.symyx.com/downloads/public/ctfile/ctfile.jsp
Functions: sdfstr2list
, sdf2str
, sdf2list
, SDFset2SDF
## Instance of SDFset class data(sdfsample); sdfset <- sdfsample sdfset ## Returns sdfset as list SDFset2list(sdfset[1:4]) as(sdfset, "list")[1:4] # similar result