Пакунок: python3-mdtraj (1.11.0-1 and others)

Links for python3-mdtraj

Debian Resources:

Download Source Package mdtraj:

Maintainers:

Debichem Team (QA Page, Mail Archive)
Drew Parsons (QA Page)

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.

Інші пакунки пов'язані з python3-mdtraj

depends

recommends

suggests

enhances

dep: libc6 (>= 2.38)

Бібліотека GNU C: спільні бібліотеки
also a virtual package provided by libc6-udeb
dep: libgcc-s1 (>= 3.0) [not i386]

Допоміжна бібліотека GCC

dep: libgcc-s1 (>= 7) [i386]
dep: libgomp1 (>= 4.9)

Підтримувальна бібліотека GCC OpenMP (GOMP)
dep: libstdc++6 (>= 13.1)

Стандартна бібліотека C++ GNU, версії 3
dep: python3

interactive high-level object-oriented language (default python3 version)

dep: python3 (<< 3.13) [x32]

dep: python3 (<< 3.14) [not x32]

dep: python3 (>= 3.12~) [x32]

dep: python3 (>= 3.13~) [not x32]
dep: python3-astunparse [x32]

Пакунок недоступний
dep: python3-networkx

tool to create, manipulate and study complex networks (Python3)
dep: python3-numpy (>= 1:1.25.0) [x32]

Python library for numerical computations (Python 3)

dep: python3-numpy (>= 2.0.0~) [not x32]
dep: python3-numpy-abi9 [x32]

virtual package provided by python3-numpy
dep: python3-numpy2-abi0 [not x32]

virtual package provided by python3-numpy

or python3-numpy-abi9

virtual package provided by python3-numpy
dep: python3-packaging

основні утиліти для пакунків python3
dep: python3-pandas

data structures for "relational" or "labeled" data
dep: python3-pyparsing

alternative to creating and executing simple grammars - Python 3.x
dep: python3-scipy

scientific tools for Python 3
dep: python3-tables

Hierarchical database for Python3 based on HDF5

rec: python3-gsd

native file format for HOOMD-blue (Python 3 module)
rec: python3-netcdf4

Python 3 interface to the netCDF4 (network Common Data Form) library

sug: python-mdtraj-doc

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

Завантажити python3-mdtraj

Завантаження для всіх доступних архітектур
Архітектура	Версія	Розмір пакунка	Розмір після встановлення	Файли
amd64	1.11.0-1	1,040.2 kB	4,621.0 kB	[список файлів]
arm64	1.11.0-1	934.3 kB	4,337.0 kB	[список файлів]
i386	1.11.0-1	1,008.7 kB	4,665.0 kB	[список файлів]
x32 (unofficial port)	1.10.0-3	941.5 kB	3,887.0 kB	[список файлів]