Skip to content

Latest commit

 

History

History
58 lines (41 loc) · 2.12 KB

README.md

File metadata and controls

58 lines (41 loc) · 2.12 KB
Raw

ProteinChains

Dev Build Status Coverage

This Julia package provides implements the ProteinChain type: a chain-level structure-of-arrays type representation of proteins, with support for indexing by residue index.

Installation

using Pkg
Pkg.add("ProteinChains")

Quickstart

The ProteinChain type is meant to only store a basic set of fields, from which some other properties might be derived.

julia> using ProteinChains

julia> structure = pdb"1EYE" # string macro to fetch proteins from the PDB
[ Info: File exists: 1EYE
1-chain ProteinStructure{Float64} "1EYE.cif"
 256-residue ProteinChain{Float64} (A)

julia> chain = structure["A"]
256-residue ProteinChain{Float64} (A)

julia> propertynames(chain)
(:id, :atoms, :sequence, :ins_codes, :numbering)

To store additional properties, addpropertie!s can be used to attach persistent chain-level properties or indexable residue-level properties:

julia> addproperties!(chain; taxid=83332)
256-residue ProteinChain{Float64} (A)

julia> addproperties!(chain; rand3=IndexableProperty(rand(3,256))) # last dimension matches chain length
256-residue ProteinChain{Float64} (A)

julia> chain[1:100].rand3
3×100 Matrix{Float64}:
 0.273545  0.639173  0.92708   …  0.459441  0.196407  0.880034       
 0.981498  0.70263   0.279264     0.552049  0.89274   0.0328866      
 0.169268  0.117848  0.732741     0.301921  0.187094  0.281187

julia> propertynames(chain)
(:id, :atoms, :sequence, :ins_codes, :numbering, :rand3, :taxid)

See also