Пакет: python3-mdanalysis (2.4.2+dfsg1-1 и другие)

[ Источник: mdanalysis  ]

analyse molecular dynamics files and trajectories

MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale, spanning use cases from interactions of drugs with proteins to novel materials. It is widely used in the scientific community and is written by scientists for scientists.

MDAnalysis allows one to read particle-based trajectories (including individual coordinate frames such as biomolecules in the PDB format) and access the atomic coordinates through NumPy arrays. This provides a flexible and relatively fast framework for complex analysis tasks. In addition, powerful atom selection commands are implemented. Trajectories can also be manipulated (for instance, fit to a reference structure) and written out.

It works with a wide range of popular simulation packages including Gromacs, Amber, NAMD, CHARMM, DL_Poly, HooMD, LAMMPS and many others — see the lists of supported trajectory formats and topology formats. MDAnalysis also includes widely used analysis algorithms in the MDAnalysis.analysis module.

The MDAnalysis project uses an open governance model and is fiscally sponsored by NumFOCUS.

This package installs the library for Python 3.

Другие пакеты, относящиеся к python3-mdanalysis

• dep: libc6 (>= 2.14) [amd64]

  библиотека GNU C: динамически подключаемые библиотеки
  также виртуальный пакет, предоставляемый libc6-udeb

  dep: libc6 (>= 2.17) [arm64, ppc64el]

  dep: libc6 (>= 2.4) [не amd64, arm64, ppc64el]

• dep: libgcc-s1 (>= 3.0) [не armel, armhf, ppc64el]

  вспомогательная библиотека GCC

  dep: libgcc-s1 (>= 3.3.1) [ppc64el]

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

• dep: libgomp1 (>= 4.9)

  вспомогательная библиотека GCC OpenMP (GOMP)

• dep: libstdc++6 (>= 11)

  стандартная библиотека GNU C++ версии 3

• dep: python3

  интерактивный высокоуровневый объектно-ориентированный язык (версия python3 по умолчанию)

  dep: python3 (<< 3.12)

  dep: python3 (>= 3.11~)

• dep: python3-biopython (>= 1.80)

  Python3 library for bioinformatics

• dep: python3-duecredit

  Publications (and donations) tracer

• dep: python3-fasteners

  provides useful locks - Python 3.x

• dep: python3-griddataformats (>= 0.4.0)

  Handling volumetric data in Python

• dep: python3-gsd (>= 1.9.3~)

  native file format for HOOMD-blue (Python 3 module)

• dep: python3-joblib (>= 0.12)

  tools to provide lightweight pipelining in Python

• dep: python3-matplotlib (>= 1.5.1)

  Python based plotting system in a style similar to Matlab (Python 3)

• dep: python3-mmtf (>= 1.0.0)

  binary encoding of biological structures (Python 3)

• dep: python3-networkx (>= 2.0)

  tool to create, manipulate and study complex networks (Python3)

• dep: python3-numpy (>= 1:1.22.0)

  Fast array facility to the Python 3 language

• dep: python3-numpy-abi9

  виртуальный пакет, предоставляемый python3-numpy

• dep: python3-packaging

  core utilities for python3 packages

• dep: python3-scipy (>= 1.5.0)

  scientific tools for Python 3

• dep: python3-threadpoolctl

  Python helpers for common threading libraries (BLAS, OpenMP)

• dep: python3-tqdm (>= 4.43.0)

  fast, extensible progress bar for Python 3 and CLI tool

• rec: python3-sklearn

  Python modules for machine learning and data mining - Python 3

• sug: python-mdanalysis-doc

  analyse molecular dynamics files and trajectories ( documentation)

Загрузка python3-mdanalysis

Загрузить для всех доступных архитектур

Архитектура	Версия	Размер пакета	В установленном виде	Файлы
amd64	2.4.2+dfsg1-1+b1	1 589,9 Кб	16 823,0 Кб	[список файлов]
arm64	2.4.2+dfsg1-1+b1	1 552,7 Кб	16 972,0 Кб	[список файлов]
armel	2.4.2+dfsg1-1+b1	1 499,7 Кб	16 493,0 Кб	[список файлов]
armhf	2.4.2+dfsg1-1+b1	1 477,0 Кб	15 752,0 Кб	[список файлов]
i386	2.4.2+dfsg1-1+b1	1 564,5 Кб	16 880,0 Кб	[список файлов]
mips64el	2.4.2+dfsg1-1+b1	1 564,3 Кб	17 350,0 Кб	[список файлов]
mipsel	2.4.2+dfsg1-1+b1	1 555,9 Кб	17 151,0 Кб	[список файлов]
ppc64el	2.4.2+dfsg1-1+b1	1 639,7 Кб	17 485,0 Кб	[список файлов]
s390x	2.4.2+dfsg1-1+b1	1 488,6 Кб	16 860,0 Кб	[список файлов]