pdbsplit将多个chain的pdb文件分割

将蛋白质数据库（PDB）坐标文件拆分为新的单独文件，每个链一个文件

# install.packages("bio3d", dependencies=TRUE)
# 
options(stringsAsFactors = F)
rm(list=ls()) 
# setwd('D:\\SCIwork\\F26\\SOST')
library(bio3d)
## Not run: 
## Save separate PDB files for each chain of a local or on-line file
pdbsplit( get.pdb("2H8L", URLonly=TRUE) )


## Split several PDBs by chain ID and multi-model records
raw.files <- get.pdb( c("1YX5", "3NOB") , URLonly=TRUE)
chain.files <- pdbsplit(raw.files,  path=tempdir(), multi=TRUE)
basename(chain.files)


## Output only desired pdbID_chainID combinations
## for the last entry (1f9j), fetch all chains
ids <- c("1YX5_A", "3NOB_B", "1F9J")
raw.files <- get.pdb( ids , URLonly=TRUE)
chain.files <- pdbsplit(raw.files, ids, path=tempdir())
basename(chain.files)

因此我们将2H8L分割成三个pdb文件。
[1] "split_chain/2H8L_A.pdb" "split_chain/2H8L_B.pdb" "split_chain/2H8L_C.pdb"