sdf2list {ChemmineR} | R Documentation |
SDF
to list
Returns objects of class SDF
as list
.
sdf2list(x)
x |
object of class |
...
list |
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
, SDFset2list
, SDFset2SDF
## Instance of SDF class data(sdfsample); sdfset <- sdfsample sdf <- sdfset[[1]] ## Return as list sdf2list(sdf) as(sdf, "list") # similar result