Divide and Reassemble ‘pdb’ Objects
split divides a ‘pdb’ object by groups of atoms defined by
f. unsplit reverses the effect of split.
## S3 method for class 'pdb' split(x, f, drop = FALSE, ...) ## S3 method for class 'pdb' unsplit(value, f, drop = FALSE, ...)
x |
an object of class ‘pdb’ to be divided into groups. |
f |
a ‘factor’ in the sense that
|
drop |
logical indicating if levels that do not occur should be
dropped (if |
value |
a list of 'pdb' objects compatible with a splitting of
|
... |
further potential arguments passed to methods. |
split produce a list of ‘pdb’ objects with the same
cryst1, title and remark components as x. Only
its atoms component is splitted while its conect component is
cleaned to keep only the meaningful connectivity for each ‘pdb’ object
of the list returned by the function. unlist produce a ‘pdb’
object with the same cryst1, title and remark components
as the first element of value. The atoms and conect
components of all the elements of value are combined by row.
The value returned from split is a list of ‘pdb’
objects containing the data for the groups of atoms. The components of the
list are named by the levels of f (after converting to a factor, or if
already a factor and drop=TRUE, dropping unused levels). unsplit returns a ‘pdb’ object for which split(x, f)
equals value.
## Not run:
## Split a pdb file by residue IDs and write them into separated files
x <- read.pdb(system.file("examples/PCBM_ODCB.pdb",package="Rpdb"))
file.names <- paste0(x$atoms$resname,"_",x$atoms$resid,".pdb")
file.names <- unique(file.names)
pdb.resid <- split(x, x$atoms$resid)
useless <- mapply(write.pdb, pdb.resid, file.names)
## End(Not run)Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.