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281

598

lgpl-2.1

47

An open library for the analysis of molecular dynamics trajectories

pdb rmsd mdtraj python pdb-files dihedral-angles molecular-dynamics molecular-dynamics-trajectories

Created 2012-11-08

3,328 commits to master branch, last one a day ago

115

501

bsd-2-clause

18

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

pdb xyz rmsd atoms kabsch molecule alignment structure assignment reordering

Created 2013-04-24

287 commits to master branch, last one 9 months ago

7

85

mit

7

📐 Symmetry-corrected RMSD in Python

cadd rmsd docking symmetry drug-discovery molecular-docking computational-biology computational-chemistry computer-aided-drug-design

Created 2019-10-10

604 commits to develop branch, last one 3 days ago