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GitHub topics: kabsch-algorithm

radi0sus/xyzoverlay

Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.

Language: Python - Size: 8.18 MB - Last synced at: 2 months ago - Pushed at: about 1 year ago - Stars: 10 - Forks: 3

m-rauen/Coordinates_Analyzer

Python web app that compare, calculate and plot the mathematical differences between 2 sets of atomic coordinates

Language: Python - Size: 19.6 MB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0

nbehrnd/aRMSD Fork of armsd/aRMSD

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

Language: Python - Size: 12.6 MB - Last synced at: about 2 years ago - Pushed at: almost 3 years ago - Stars: 4 - Forks: 0

Related Keywords
kabsch-algorithm 3 computational-chemistry 2 kabsch 2 xyz 2 rmsd 2 structure 1 python 1 pdb 1 model 1 crystallography 1 cif 1 alignment 1 rmsd-algorithms 1 geometry-optimization 1 chemistry 1 bioinformatics 1 xyz-reader 1 xyz-files 1 superposition 1 overlay 1 molecules 1 molecule-visualization 1 molecule-viewer 1 molecule 1 inorganic-chemistry 1 dft 1 coordination-chemistry 1 coordinates 1