| _version_ | 1866901643128209408 |
|---|---|
| author | Castro Silva Junior, Henrique |
| author_facet | Castro Silva Junior, Henrique |
| contents | 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. |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18209621 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Q-Shape - Quantitative Shape Analyzer Castro Silva Junior, Henrique coordination chemistry continuous shape measures CShM molecular geometry shape analysis coordination geometry structural analysis computational chemistry web application Three.js React CIF XYZ crystallography 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. |
| title | Q-Shape - Quantitative Shape Analyzer |
| topic | coordination chemistry continuous shape measures CShM molecular geometry shape analysis coordination geometry structural analysis computational chemistry web application Three.js React CIF XYZ crystallography |
| url | https://doi.org/10.5281/zenodo.18209621 |