SpglibJS: C crystal symmetry library transpiled to JavaScript for in-browser usage. See in action online
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Updated
May 11, 2016 - HTML
SpglibJS: C crystal symmetry library transpiled to JavaScript for in-browser usage. See in action online
Python3-module for crystallographic calculations.
Algorithms for detwinning computationally twinned datasets using correlation coefficients
Work on active learning applied to the exploration of crystals
CIF file parser for Haskell
Get details about a protein X-ray structure model from a PDB file.
Scientific library for crystallography
3 demos of basic crystallography concepts
Practical course report - Determination of the pyrite's crystallographic structure
A data analysis report on ligand crystallography
tesselate a crystal structure
A GUI Front-end to CarbonXS
batchwise Kabsch test with Jimmy Charnley's calculate_rmsd (https://github.com/charnley/rmsd) on multiple CPUs
OctaDist package for PyPI.
Small programs to help extract information after running the clustering program blend
Explore the symmetry of the 32 crystallographic point groups! This is a mirror of:
Using fast_dp @ work to test on cbf and hdf5 files.
Scripts to faciliate programmatic dimer and cluster generation with CLUSTERGEN
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