rmsd
There are 37 repositories under rmsd topic.
mdtraj/mdtraj
An open library for the analysis of molecular dynamics trajectories
charnley/rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
RMeli/spyrmsd
📐 Symmetry-corrected RMSD in Python
sarisabban/RamaNet
Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
jewettaij/superpose3d
register 3D point clouds using rotation, translation, and scale transformations.
jewettaij/superpose3d_cpp
header-only C++ library for registering 3D point clouds using rotation, translation, and scale transformations
luisico/clustering
VMD plugin to calculate and visualize clusters of conformations for a trajectory
hmcezar/clusttraj
Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.
RUBi-ZA/MODE-TASK
PCA and normal mode analysis of proteins
grimme-lab/rmsd-tool
Tool to calculate the root mean square deviation between molecular structures
manny405/mcse
Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
berhane/arbalign
aligns arbitrarily ordered isomers
QDcvd/Gromacs-xvg2csv-Printer
利用xvg生成的csv文件进行画图的脚本
UnixJunkie/chemoinfo_recipes
Command line recipes for the working chemoinformatician
UnixJunkie/fragger
A protein fragments picker
ardcore/fit_transform
Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
nbehrnd/aRMSD
Pairwise structural comparison of .xyz, a fork of aRMSD to work without PyInstaller in Linux. Note the project «aRMSD-minimalWindowsSupport», too.
RUBi-ZA/pyMODE-TASK
MODE-TASK plugin for PyMOL
GeoRouv/RMSD
📐 Implementation of the c-RMSD and d-RMSD algorithms
luisico/rmsdtt
VMD plugin for rmsd calculation and fitting of molecular structures
Maximato/PDBan
Project for analysis of protein structures in .pdb file format. It calculates some structure parameters and can compare two structures by calculating the RMSD.
rsrchen/ecs129-project
A program that compares a protein structure prediction to a solved structure and evaluates the prediction's accuracy using RMSD.
amaurypm/rmsdmat
Superimpose a set of protein structures and report a RSMD matrix, in CSV and Mega-compatible formats.
chanioxaris/molecular-configurations
Clustering for molecular configurations
luisico/itrajcomp
interactive Trajectory Comparison
luisico/swap
VMD plugin to swap coordinates between atoms in a molecule
sorinlab/fahda-rmsd-rg
F@H Data Analysis: Root-mean-square Deviation & Radius of Gyration Calculations
stdlib-js/stats-incr-mrmse
Compute a moving root mean squared error (RMSE) incrementally.
stdlib-js/stats-incr-rmse
Compute the root mean squared error (RMSE) incrementally.
boneta/RMSD-Clustering
Clustering based on RMSD
Jonas-Finkler/RMSD-finder
Program to determine the minimal RMSD between two atomic configurations
Joseph-Ellaway/per-residue-distance
Calculates the per-residue atomic distance between two proteins
m-rauen/Coordinates_Analyzer
Python web app that compare, calculate and plot the mathematical differences between 2 sets of atomic coordinates
saysayani11/Structural-analysis-CK2A
RMSD and B Factor Analysis
amaurypm/pyrmsdmat
Superimpose a set of protein structures and report a RSMD matrix, in CSV and Mega-compatible formats, using Pymol as a module
nbehrnd/rmsdModerator
batchwise Kabsch test with Jimmy Charnley's calculate_rmsd (https://github.com/charnley/rmsd) on multiple CPUs