Paket: python3-mdanalysis (2.4.2+dfsg1-1 och andra)

Länkar för python3-mdanalysis

Debianresurser:

Hämta källkodspaketet mdanalysis:

Ansvariga:

Debichem Team (QA-sida, E-postarkiv)
Drew Parsons (QA-sida)

Externa resurser:

Hemsida [www.mdanalysis.org]

Liknande paket:

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.

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enhances

dep: libc6 (>= 2.14) [amd64]

GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6-udeb

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

dep: libc6 (>= 2.4) [ej amd64, arm64, ppc64el]
dep: libgcc-s1 (>= 3.0) [ej armel, armhf, ppc64el]

GCC stödbibliotek

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 standardbibliotek v3 för C++
dep: python3

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

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)

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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)

Hämta python3-mdanalysis

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
amd64	2.4.2+dfsg1-1+b1	1.589,9 kbyte	16.823,0 kbyte	[filförteckning]
arm64	2.4.2+dfsg1-1+b1	1.552,7 kbyte	16.972,0 kbyte	[filförteckning]
armel	2.4.2+dfsg1-1+b1	1.499,7 kbyte	16.493,0 kbyte	[filförteckning]
armhf	2.4.2+dfsg1-1+b1	1.477,0 kbyte	15.752,0 kbyte	[filförteckning]
i386	2.4.2+dfsg1-1+b1	1.564,5 kbyte	16.880,0 kbyte	[filförteckning]
mips64el	2.4.2+dfsg1-1+b1	1.564,3 kbyte	17.350,0 kbyte	[filförteckning]
mipsel	2.4.2+dfsg1-1+b1	1.555,9 kbyte	17.151,0 kbyte	[filförteckning]
ppc64el	2.4.2+dfsg1-1+b1	1.639,7 kbyte	17.485,0 kbyte	[filförteckning]
s390x	2.4.2+dfsg1-1+b1	1.488,6 kbyte	16.860,0 kbyte	[filförteckning]