A light-weight, versatile XYZ tile server, built with Flask and Rasterio 🌍

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

Test Everything All In One Run!!! Testing & benchmarking tool for samplers, schedulers, CFG scales, multiple prompts, img2img denoise values, Models, Weights, LoRA and more! Features infinite-canvas dashboard image grids with virtual scrolling that can handle thousands of images! Smart caching, powerful sorting, filters, favoriting & much more!

Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables

Manage your XYZ Hub or HERE Data Hub spaces from Python.

Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.

Interactive interface for preparing and analyzing files for generation of special quasirandom structures (SQS) using ATAT mcsqs

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.

A small python script to create animation from multiply xyz files

fast image color space conversion via numpy vectorization

Pairwise structural comparison of .xyz, a fork of aRMSD to work without PyInstaller in Linux. Note the project «aRMSD-minimalWindowsSupport», too.

A QGIS plugin to load multiple online basemap services

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.

Script to smooth xyz and cube file trajectories. Applies spline interpolation to the trajectory

A GUI application designed to facilitate PCS analysis from NMR and molecular structure data

3d xyz graphing using threejs

GaussView scripts for vsualization and modeling in xyz format

A command line tool that creates a novel proton indicator from a coordinate file (.xyz) to highlight proton movement in acid/base chemical reactions.

A technology framework for image properties with more than 2/3 values (expanding past XYZ)

Automatic XYZ coordinate detection and spatial diagnostics for CSV/Excel data