semvec/pypi-packages huggingface dataset:
bemserver-api 0.26.0
BEMServer API
Requires Python: >=3.9

=============
BEMServer API
=============

.. image:: https://img.shields.io/pypi/v/bemserver-api.svg
    :target: https://pypi.org/project/bemserver-api/
    :alt: Latest version

.. image:: https://img.shields.io/pypi/pyversions/bemserver-api.svg
    :target: https://pypi.org/project/bemserver-api/
    :alt: Python versions

.. image:: https://github.com/BEMServer/bemserver-api/actions/workflows/build-release.yaml/badge.svg
    :target: https://github.com/BEMServer/bemserver-api/actions/workflows/build-release.yaml
    :alt: Build status

.. image:: https://results.pre-commit.ci/badge/github/BEMServer/bemserver-api/main.svg
   :target: https://results.pre-commit.ci/latest/github/BEMServer/bemserver-api/main
   :alt: pre-commit.ci status

.. image:: https://codecov.io/gh/BEMServer/bemserver-api/branch/main/graph/badge.svg
    :target: https://codecov.io/gh/BEMServer/bemserver-api
    :alt: Code coverage

.. image:: https://readthedocs.org/projects/bemserver-docs/badge/
    :target: http://bemserver-docs.readthedocs.io/
    :alt: Documentation


BEMServer is a free Building Energy Management software platform.

Its purpose it to store data collected in buildings and produce useful information such as performance indicators or alerts.
fastpdb 1.3.3
A high performance drop-in replacement for Biotite's PDBFile.
Requires Python: >=3.7
Keywords: pdb-files

.. image:: https://raw.githubusercontent.com/biotite-dev/fastpdb/main/logo.svg
    :width: 300
    :align: center
    :alt: fastpdb


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A high performance drop-in replacement for *Biotite*'s ``PDBFile``
written in *Rust*.

Installation
------------

``fastpdb`` can be installed via

.. code-block:: console

    $ pip install fastpdb

Usage
-----

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

.. code-block:: python

    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``.

.. image:: https://raw.githubusercontent.com/biotite-dev/fastpdb/main/benchmark.svg
    :width: 800
    :align: center