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

Връзки за python3-mdanalysis

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Изтегляне на пакет-източник mdanalysis.

Отговорници:

Външни препратки:

Начална страница [www.mdanalysis.org]

Подобни пакети:

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.

Други пакети, свързани с python3-mdanalysis

зависимости

препоръчани

предложени

enhances

dep: libc6 (>= 2.14) [amd64]

GNU C Library: Shared libraries
също и виртуален пакет, предлаган от 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]

GCC support library

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

dep: libgcc-s1 (>= 3.5) [armel, armhf]
dep: libgomp1 (>= 4.9)

GCC OpenMP (GOMP) support library
dep: libstdc++6 (>= 11)

GNU Standard C++ Library v3
dep: python3

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

dep: python3 (<< 3.12)

dep: python3 (>= 3.11~)
dep: python3-biopython (>= 1.80)

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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)

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dep: python3-networkx (>= 2.0)

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dep: python3-numpy (>= 1:1.22.0)

Fast array facility to the Python 3 language
dep: python3-numpy-abi9

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dep: python3-packaging

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dep: python3-scipy (>= 1.5.0)

scientific tools for Python 3
dep: python3-threadpoolctl

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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)

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Изтегляне за всички налични архитектури
Архитектура	Версия	Големина на пакета	Големина след инсталиране	Файлове
amd64	2.4.2+dfsg1-1+b1	1 589,9 кБ	16 823,0 кБ	[списък на файловете]
arm64	2.4.2+dfsg1-1+b1	1 552,7 кБ	16 972,0 кБ	[списък на файловете]
armel	2.4.2+dfsg1-1+b1	1 499,7 кБ	16 493,0 кБ	[списък на файловете]
armhf	2.4.2+dfsg1-1+b1	1 477,0 кБ	15 752,0 кБ	[списък на файловете]
i386	2.4.2+dfsg1-1+b1	1 564,5 кБ	16 880,0 кБ	[списък на файловете]
mips64el	2.4.2+dfsg1-1+b1	1 564,3 кБ	17 350,0 кБ	[списък на файловете]
mipsel	2.4.2+dfsg1-1+b1	1 555,9 кБ	17 151,0 кБ	[списък на файловете]
ppc64el	2.4.2+dfsg1-1+b1	1 639,7 кБ	17 485,0 кБ	[списък на файловете]
s390x	2.4.2+dfsg1-1+b1	1 488,6 кБ	16 860,0 кБ	[списък на файловете]