Q-Shape - Quantitative Shape Analyzer

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Henrique Castro Silva Junior
DOI: 10.5281/zenodo.18209621
Cited by: 0

Abstract

Q-Shape: Advanced coordination geometry analysis using Continuous Shape Measures (CShM). A web-based tool for analyzing molecular coordination geometries with 92 reference geometries (CN 2-12, 20, 24, 48, 60), real-time 3D visualization, and comprehensive quality metrics. Supports XYZ and CIF file formats with multi-structure analysis.

Fields of Study & Subjects

Crystal structures of chemical compounds Advanced Chemical Physics Studies Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
10 January 2026