Reciprocal Space Station logo

Reciprocal Space Station

Open-source software for structural biology.

View on GitHub

๐Ÿ’ฌ Forum

Ask questions and share crystallography content with the rs-station community on a modern, open-source forum based on discourse.

โœ๏ธ Blog

Explanations, elaborations, and more about crystallographic data analysis, written by the 1/astronauts

1/๐Ÿ›ธ reciprocalspaceship

Tools for exploring reciprocal space. This package provides a crystallographically-aware extension of pandas and other useful reciprocal-space tools.

๐ŸŽฒ careless

Applying variational inference to the scaling and merging of crystallographic data.

๐Ÿ—บ๏ธ matchmaps

Make difference maps between near-isomorphous or non-isomorphous datasets.

๐ŸŒˆ laue-dials

Extending DIALS for polychromatic โ€œpink beamโ€ data collected at Laue X-ray sources.

๐Ÿงฎ SFCalculator

A differentiable pipeline connecting the protein atomic models and experimental structure factors, featuring a differentiable bulk solvent correction.

โ˜„๏ธ METEOR

Map Enhancement Tools for Ephemeral Occupancy Refinement is a tool for computing crystallographic difference maps.

๐Ÿš€ ROCKET

Refining Openfold predictions with Crystallographic/Cryo-EM LiKElihood Targets (ROCKET) is a tool that uses neural nets for protein structure refinement.

๐Ÿ› ๏ธ Development zone

More RSS packages, still under active development; use at your own risk!