BoSSA (version 3.7)

read_protdb: Read Protein Data Bank (PDB) file

Description

Read Protein Data Bank (PDB) file

Usage

read_protdb(X)

Arguments

X

The path/name of a pdb file.

Value

The output is a list of objects

header

The header of the pdb file

compound

A data frame summarizing the CMPND part of the pdb file. This include the molecule ID, the molecule name and the chain ID

atom

A data frame with the atom type, the amino acid, the amino acid number, the chain and the euclidian X, Y, Z coordinates of the atoms

sequence

A list with the numbering of the amino acid and the amino acid sequence for each chain

References

http://www.rcsb.org/pdb/home/home.do

Examples

# NOT RUN {
pdb_file <- system.file("extdata", "1L2M.pdb", package = "BoSSA")
pdb <- read_protdb(pdb_file)
pdb
# }