cid {ChemmineR} | R Documentation |
Returns the compound identifiers from the ID slot of an SDFset
object.
cid(x)
x |
object of class |
...
character
vector
Thomas Girke
...
atomblock
, atomcount
, bondblock
, datablock
, header
, sdfid
## SDFset/APset instances data(sdfsample) sdfset <- sdfsample apset <- sdf2ap(sdfset[1:4]) ## Extract compound IDs from SDFset/APset cid(sdfset[1:4]) cid(apset[1:4]) ## Extract IDs defined in SD file sdfid(sdfset[1:4]) ## Assigning compound IDs and keeping them unique unique_ids <- makeUnique(sdfid(sdfset)) cid(sdfset) <- unique_ids cid(sdfset[1:4]) ## Replacement Method cid(sdfset) <- as.character(1:100)