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GitHub topics: kabsch
charnley/rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
Language: Python - Size: 547 KB - Last synced: 21 days ago - Pushed: 4 months ago - Stars: 474 - Forks: 116
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: about 1 month ago - Pushed: about 1 month ago - Stars: 6 - Forks: 0
ardcore/fit_transform
Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
Language: JavaScript - Size: 36.1 KB - Last synced: 3 days ago - Pushed: about 5 years ago - Stars: 4 - Forks: 0
boneta/RMSD-Clustering
Clustering based on RMSD
Language: Python - Size: 20.5 KB - Last synced: 4 months ago - Pushed: about 1 year 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: about 1 year ago - Pushed: almost 2 years ago - Stars: 4 - Forks: 0
sha-kil/kabschjs
A simple library to compute rigid transformation matrix between two point sets.
Language: TypeScript - Size: 38.1 KB - Last synced: 2 months ago - Pushed: about 2 years ago - Stars: 1 - Forks: 0
nbehrnd/rmsdModerator
batchwise Kabsch test with Jimmy Charnley's calculate_rmsd (https://github.com/charnley/rmsd) on multiple CPUs
Language: Python - Size: 35.2 KB - Last synced: about 1 year ago - Pushed: about 5 years ago - Stars: 0 - Forks: 0