A light-weight, versatile XYZ tile server, built with Flask and Rasterio 🌍
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Jan 14, 2026 - Python
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xyz
Here are 39 public repositories matching this topic...
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
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Aug 5, 2025 - Python
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
visualization viewer table angle bond orca coordinates xyz tables dihedral-angles xyz-reader length xyz-files orca-quantum-chemistry torsion-angles molecule-visualization dft-calculations xmol xyz-viewer best-fit-plane
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Feb 22, 2024 - Python
Manage your XYZ Hub or HERE Data Hub spaces from Python.
python search client geojson geospatial jupyter-notebooks xyz geospatial-database geospatial-analysis data-hub xyz-hub
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Sep 3, 2021 - Python
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
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Jul 19, 2021 - Python
Align atomic coordinates in xyz files. Align one or more atoms to x-, y- and z-axes. Set origin to a selected atom or a centroid of selected atoms. Rotate atomic coordinates about arbitrary angles. Translate atomic coordinates.
translation dft molecule computational-chemistry rotate translate orientation orca molecules coordinates rotation xyz xyz-reader align xyz-files rotation-matrix 3d-coordinate orca-quantum-chemistry inorganic-chemistry coordination-chemistry
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Oct 20, 2024 - Python
A small python script to create animation from multiply xyz files
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Aug 28, 2019 - Python
Script to smooth xyz and cube file trajectories. Applies spline interpolation to the trajectory
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Dec 2, 2017 - Python
A QGIS plugin to load multiple online basemap services
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Dec 26, 2025 - Python
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
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Dec 12, 2025 - Python
GaussView scripts for vsualization and modeling in xyz format
visualization modeling computational-chemistry quantum-chemistry orca cp2k xyz first-principles-calculations gaussview
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Jan 8, 2026 - Python
A technology framework for image properties with more than 2/3 values (expanding past XYZ)
framework gplv3 images properties xyz gpl3 file-properties polyworks polyworks-squareoff polyworks-squareoff-project polyworks-squareoff-development xyza image-properties
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Nov 27, 2025 - Python
A command line tool that creates a novel proton indicator from a coordinate file (.xyz) to highlight proton movement in acid/base chemical reactions.
documentation chemistry numpy proton matplotlib command-line-tool tested xyz water-wire proton-hopping proton-indicator proton-transfer
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Jun 15, 2020 - Python
Python web app that compare, calculate and plot the mathematical differences between 2 sets of atomic coordinates
bioinformatics chemistry computational-chemistry xyz rmsd kabsch-algorithm geometry-optimization rmsd-algorithms
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Feb 7, 2023 - Python
Automatic XYZ coordinate detection and spatial diagnostics for CSV/Excel data
python gis point-cloud lidar data-analysis convex-hull coordinates batch-processing geomatics data-cleaning xyz bounding-boxes surveying qaqc
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Jan 19, 2026 - Python
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