semvec/pypi-packages huggingface dataset:
reciprocalspaceship 1.0.7
Tools for exploring reciprocal space
License: MIT
Requires Python: >=3.9


``reciprocalspaceship`` provides a ``pandas``-style interface for
analyzing and manipulating reflection data from crystallography
experiments. Using this library, it is possible to interactively work
with crystallographic data in Python, enabling easy integration  with
modern scientific computing libraries. ``reciprocalspaceship`` is
intended to support the rapid prototyping of new crystallographic methods
and custom analyses while maintaining clear, reproducible, and performant
code.

Features of this library include:

  - Crystallographically-aware ``pandas`` objects, datatypes, and syntax
    that are familiar to Python users.
  - Convenient integration with `GEMMI <https://gemmi.readthedocs.io/en/latest/>`__
    to provide built-in methods and support for developing functions that
    use space groups, unit cell parameters, and crystallographic symmetry
    operations.
  - Support for reading and writing MTZ reflection files.