Пакет: python3-mdtraj (1.9.7-6)

Връзки за python3-mdtraj

Ресурси за Debian:

Изтегляне на пакет-източник mdtraj.

Отговорници:

Външни препратки:

Начална страница [mdtraj.org]

Подобни пакети:

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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sug: python-mdtraj-doc

Read, write and analyze MD trajectories in Python (documentation)

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Архитектура	Големина на пакета	Големина след инсталиране	Файлове
amd64	1 031,9 кБ	4 459,0 кБ	[списък на файловете]
arm64	941,3 кБ	4 457,0 кБ	[списък на файловете]
i386	1 035,3 кБ	4 639,0 кБ	[списък на файловете]