[ aramo ]
[ Paquet source : mdtraj ]
Paquet : python3-mdtraj (1.9.7-3)
Liens pour python3-mdtraj
Ressources Trisquel :
Télécharger le paquet source mdtraj :
Responsable :
Original Maintainers:
- Debichem Team (Archive du courrier électronique)
- Drew Parsons
Ressources externes :
- Page d'accueil [mdtraj.org]
Paquets similaires :
Read, write and analyze MD trajectories in Python
Read, write and analyze MD trajectories with only a few lines of Python code.
MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories. Features include:
* Wide MD format support, including pdb, xtc, trr, dcd, binpos, netcdf, mdcrd, prmtop, and more. * Extremely fast RMSD calculations (4x the speed of the original Theobald QCP). * Extensive analysis functions including those that compute bonds, angles, dihedrals, hydrogen bonds, secondary structure, and NMR observables. * Lightweight, Pythonic API.
MDTraj includes a command-line application, mdconvert-mdtraj, for converting trajectories between formats.
This package installs the library for Python 3, together with the command line utilities mdconvert-mdtraj and mdinspect.
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Télécharger python3-mdtraj
| Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
|---|---|---|---|
| amd64 | 1 108,7 ko | 4497 ko | [liste des fichiers] |
| arm64 | 1 100,7 ko | 4073 ko | [liste des fichiers] |