BoSSA (version 1.2)

read.PDB: read Protein Data Bank (PDB) file

Description

Read a PDB file (structure of a protein).

Usage

read.PDB(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 cooridnates of the atom

sequence

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

Examples

##obtain a pdb file the protein data bank
##copy the pdb file to your current directory
##pdb <- read.PDB("2B4C.pdb")