Package: python3-mdtraj (1.9.5-1)

[ Source: mdtraj  ]

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

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Architecture	Package Size	Installed Size	Files
amd64	1,014.2 kB	4,461.0 kB	[list of files]
arm64	928.2 kB	4,054.0 kB	[list of files]
i386	1,018.3 kB	4,606.0 kB	[list of files]