fastpdb 1.0.0

A high performance drop-in replacement for Biotite's PDBFile.

Copyright (c) 2021, Patrick Kunzmann

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Requires-Python: >=3.7 Description-Content-Type: text/x-rst; charset=UTF-8 Project-URL: repository, https://github.com/biotite-dev/fastpdb Project-URL: homepage, https://github.com/biotite-dev/fastpdb

A high performance drop-in replacement for Biotite’s PDBFile written in Rust.

Installation

fastpdb can be installed via

$ pip install fastpdb

Usage

You can simply replace biotite.structure.io.pdb.PDBFile by fastpdb.PDBFile. The methods and their parameters are the same.

import fastpdb

in_file = fastpdb.PDBFile.read("path/to/file.pdb")
atom_array = in_file.get_structure(model=1)

out_file = fastpdb.PDBFile()
out_file.set_structure(atom_array)
out_file.write("path/to/another_file.pdb")

Note that fastpdb does not yet support the hybrid-36 PDB format.

Performance

fastpdb is multiple times faster than biotite.