PDB File Writer
Writes a Protein Data Bank (PDB) coordinate file from an object of class ‘pdb’.
write.pdb(x, file = "Rpdb.pdb")
x |
an object, or a list of objects, of class ‘pdb’. |
file |
a single element character vector containing the name of the PDB file to be created. |
All data stored in the ‘pdb’ object are written on a PDB file. A list of object of class ‘pdb’ can be provided to write multiple MODEL into a single file. In this case, each ‘pdb’ object of the list have to have the same cryst1
and conect
components.
To write only a subset of a ‘pdb’ object see function subset.pdb
.
PDB format has been taken from: http://www.wwpdb.org/documentation/format33/v3.3.html
## Read a PDB file included with the package pdb <- read.pdb(system.file("examples/PCBM_ODCB.pdb",package="Rpdb")) ## Write the pdb object in file "Rpdb.pdb" into the current directory write.pdb(pdb, file = "Rpdb.pdb")
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