#
shelxl
Here are 9 public repositories matching this topic...
A crystal structure finder written in PyQt5 and Python3
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Jul 21, 2026 - Python
Native macOS crystal structure viewer and molecular visualization app for CIF, XYZ, Extended XYZ, MOL, and SHELXL files on Apple silicon.
visualization chemistry molecule crystallography computational-chemistry cif crystal-structure orca organic-chemistry shelxl molecular-visualization inorganic-chemistry molecular-viewer avogadro2 shelxle cif-viewer crystal-viewer
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Jul 29, 2026
A browser-based tool that generates a crystallographic "Table 1" (crystal data and structure refinement details) from up to five CIF files — for side-by-side comparison of multiple structures in a single table.
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Jul 5, 2026 - JavaScript
Serverless browser application for CIF reporting, average calculations, geometry-parameter analysis, interatomic distance analysis, disorder-model summarisation, ORTEP-style plotting and XYZ export.
crystallography cif crystal-structure xyz tables bonds angles crystal-reports xyz-files distances shelxl ortep
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Jul 31, 2026 - JavaScript
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