rmsd
Here are 37 public repositories matching this topic...
F@H Data Analysis: Root-mean-square Deviation & Radius of Gyration Calculations
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Nov 10, 2017 - Perl
Clustering for molecular configurations
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Mar 25, 2019 - C
aligns arbitrarily ordered isomers
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Dec 28, 2019 - Python
Fortran code of Quaternion Characteristic Polynomial (QCP) superposition method
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Apr 26, 2017 - Fortran
Python web app that compare, calculate and plot the mathematical differences between 2 sets of atomic coordinates
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Feb 7, 2023 - Python
Calculates the per-residue atomic distance between two proteins
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Jan 5, 2024 - Python
A program that compares a protein structure prediction to a solved structure and evaluates the prediction's accuracy using RMSD.
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Jun 25, 2024 - Python
Compute a moving root mean squared error (RMSE) incrementally.
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Sep 1, 2024 - JavaScript
Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
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Mar 13, 2019 - JavaScript
Superimpose a set of protein structures and report a RSMD matrix, in CSV and Mega-compatible formats, using Pymol as a module
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Jul 6, 2020 - Python
Superimpose a set of protein structures and report a RSMD matrix, in CSV and Mega-compatible formats.
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Jul 6, 2020 - Julia
Project for analysis of protein structures in .pdb file format. It calculates some structure parameters and can compare two structures by calculating the RMSD.
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Feb 16, 2021 - Python
batchwise Kabsch test with Jimmy Charnley's calculate_rmsd (https://github.com/charnley/rmsd) on multiple CPUs
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Mar 28, 2019 - Python
📐 Implementation of the c-RMSD and d-RMSD algorithms
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Apr 23, 2021 - Jupyter Notebook
Compute the root mean squared error (RMSE) incrementally.
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Sep 1, 2024 - JavaScript
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