[ Quellcode: mdtraj ]
Paket: python3-mdtraj (1.10.0-3 und andere)
Links für python3-mdtraj
Debian-Ressourcen:
Quellcode-Paket mdtraj herunterladen:
Betreuer:
Externe Ressourcen:
- Homepage [mdtraj.org]
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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.
Andere Pakete mit Bezug zu python3-mdtraj
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- dep: libc6 (>= 2.38)
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- rec: python3-netcdf4
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- sug: python-mdtraj-doc
- Read, write and analyze MD trajectories in Python (documentation)
python3-mdtraj herunterladen
| Architektur | Version | Paketgröße | Größe (installiert) | Dateien |
|---|---|---|---|---|
| arm64 | 1.10.0-3+b1 | 849,9 kB | 4.108,0 kB | [Liste der Dateien] |