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Top 8 crystallography open source projects

Macromolecular viewer for crystallographers (WebGL)

✭ 28

javascript python HTML webgl crystallography molecular-graphics electron-density macromolecular-crystallography ccp4

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

✭ 13

rust python pdb crystallography scientific atoms mmcif rust-crate pdb-parser pdbx-files

X-ray diffraction data analysis for high pressure and high temperature experiments

✭ 14

Jupyter Notebook HTML python physics temperature crystallography pressure earth-science xray-diffraction-analysis

reciprocalspaceship

Tools for exploring reciprocal space

✭ 17

python shell pandas crystallography xray xray-diffraction

Debye's scattering equation & other analysis of atomistic models.

✭ 32

C++c crystallography atomistic-models debye-scattering-equation saxs

A Python package to work with material microstructures and 3d data sets

✭ 28

python crystallography materials-science 3d

Materials informatics framework for ab initio data repositories

✭ 19

python HTML shell materials vasp crystallography crystal-structure materials-science ab-initio materials-informatics quantum-espresso

my crystallographic toolbox

✭ 17

python crystallography

1-8 of 8 crystallography projects