rmsd topic

An open library for the analysis of molecular dynamics trajectories

mdtraj

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

charnley

register 3D point clouds using rotation, translation, and scale transformations.

jewettaij

header-only C++ library for registering 3D point clouds using rotation, translation, and scale transformations

jewettaij

📐 Symmetry-corrected RMSD in Python

RMeli

Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure

sarisabban

VMD plugin to calculate and visualize clusters of conformations for a trajectory

luisico

Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.

hmcezar

PCA and normal mode analysis of proteins

RUBi-ZA