[ aramo ]
[ Source: mdtraj ]
Package: python3-mdtraj (1.9.7-3)
Links for python3-mdtraj
Trisquel Resources:
Download Source Package mdtraj:
Maintainer:
Original Maintainers:
- Debichem Team (Mail Archive)
- Drew Parsons
External Resources:
- Homepage [mdtraj.org]
Similar packages:
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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Download python3-mdtraj
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 1,108.7 kB | 4497 kB | [list of files] |
| arm64 | 1,100.7 kB | 4073 kB | [list of files] |