crystallography-open-database

Here are 4 public repositories matching this topic...

seto77 / CSManager

CSManager is a Windows application for browsing, searching, and editing crystal structure databases: AMCSD is bundled, COD is downloaded on demand, CIF/AMC files can be imported and exported, and crystals can be sent to ReciPro and PDIndexer.

windows csharp dotnet winforms crystallography cif crystal-structure materials-science x-ray-diffraction space-group mineralogy crystallography-open-database crystal-structure-database amcsd

Updated Sep 9, 2026
C#

radi0sus / cshm-cc

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Computes CShM (shape measures) and other geometric indices from crystallographic information files (CIFs), which may contain single or multiple entries, or from COD (Crystallography Open Database) entries.

cod chemistry coordination crystallography cif tau xyz o xyz-files coordination-chemistry tau4 tau5 geometry-index octahedricity cshm continuous-shape-measures crystallography-open-database

Updated May 31, 2026
Python

ABKuznetsov / XRD_Analysis_Toolkit

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Modular open-source Python toolkit for X-ray diffraction (XRD) phase identification, structure simulation, and crystallographic data analysis using open databases (COD) and CIF-based calculations.

powder-diffraction xrd diffraction-simulations phase-identification crystallography-open-database xrd-analysis