Ecosyste.ms: Packages

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Top 2.6% on pypi.org
Top 1.2% downloads on pypi.org
Top 1.1% dependent packages on pypi.org
Top 2.9% dependent repos on pypi.org
Top 4.4% forks on pypi.org

pypi.org : rmsd

Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates (XYZ or PDB format), using rotation (fx. Kabsch algorithm), atom reordering (fx. Hungarian algorithm), and axis reflections, resulting in the minimal RMSD.

Registry - Source - Documentation - JSON
purl: pkg:pypi/rmsd
Keywords: alignment, assignment, atoms, kabsch, molecule, pdb, reordering, rmsd, structure, xyz
License: BSD-2-Clause
Latest release: over 1 year ago
First release: 9 months ago
Dependent packages: 9
Dependent repositories: 25
Downloads: 2,012 last month
Stars: 463 on GitHub
Forks: 115 on GitHub
Total Commits: 252
Committers: 18
Average commits per author: 14.0
Development Distribution Score (DDS): 0.171
More commit stats: commits.ecosyste.ms
See more repository details: repos.ecosyste.ms
Last synced: 6 days ago

wwpdb.utils.nmr 0.34.1
wwPDB NMR utilities
46 versions - Latest release: about 1 month ago - 2 dependent packages - 2 dependent repositories - 678 downloads last month - 0 stars on GitHub - 2 maintainers
tscode 0.4.16
Computational chemistry general purpose transition state builder and ensemble optimizer
26 versions - Latest release: about 2 months ago - 1 dependent repositories - 328 downloads last month - 11 stars on GitHub - 1 maintainer
octadist 3.1.0
OctaDist: A tool for calculating distortion parameters in molecule.
10 versions - Latest release: 2 months ago - 1 dependent repositories - 236 downloads last month - 15 stars on GitHub - 1 maintainer
aleimi 0.0.2
Stochastic Conformation Analysis at semi empirical level with ab initio refinement for small mole...
5 versions - Latest release: 5 months ago - 67 downloads last month - 0 stars on GitHub - 1 maintainer
simbols 1.0.4
A package containing similarity measures for life science purposes. The package contains or uses ...
5 versions - Latest release: 7 months ago - 45 downloads last month - 1 maintainer
clusttraj 0.1.3
Performs clustering of molecular dynamics and Monte Carlo trajectories.
4 versions - Latest release: 8 months ago - 40 downloads last month - 16 stars on GitHub - 1 maintainer
qmlearn 0.0.1
QMLearn
3 versions - Latest release: 9 months ago - 36 downloads last month - 9 stars on GitLab.com - 1 maintainer
kinbot 2.2.1
Automated reaction kinetics for gas-phase species
4 versions - Latest release: 10 months ago - 32 downloads last month - 44 stars on GitHub - 3 maintainers
pysisyphus 0.7.6
Python suite for exploring potential energy surfaces.
42 versions - Latest release: about 2 years ago - 1 dependent repositories - 419 downloads last month - 88 stars on GitHub - 1 maintainer