Paket: python3-mdanalysis (2.5.0+dfsg1-2 ve diğerleri)

python3-mdanalysis için bağlantılar

Debian Kaynakları:

mdanalysis Kaynak Paketini İndir:

Geliştiriciler:

Dış Kaynaklar:

Ana Sayfa [www.mdanalysis.org]

Benzer paketler:

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.

python3-mdanalysis ile İlgili Diğer Paketler

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: libc6 (>= 2.14) [amd64]

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb

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

dep: libc6 (>= 2.27) [riscv64]

dep: libc6 (>= 2.37) [sh4]

dep: libc6 (>= 2.4) [armel, armhf, i386, m68k, mips64el, ppc64]
dep: libc6.1 (>= 2.4) [alpha]

GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6.1-udeb
dep: libgcc-s1 (>= 3.0) [armel, armhf, m68k, ppc64, ppc64el değil]

GCC support library

dep: libgcc-s1 (>= 3.3.1) [ppc64, ppc64el]

dep: libgcc-s1 (>= 3.5) [armel, armhf]
dep: libgcc-s2 (>= 4.2.1) [m68k]

GCC support library
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 (<< 3.13)

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 (>= 3.0.1~)

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 language (Python 3)
dep: python3-numpy-abi9

sanal paketi sağlayan 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)

python3-mdanalysis indir

Tüm mevcut mimariler için indir
Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
alpha (resmi olmayan port)	2.5.0+dfsg1-2+b1	2.150,1 kB	20.969,0 kB	[dosya listesi]
amd64	2.5.0+dfsg1-2+b1	2.072,4 kB	19.723,0 kB	[dosya listesi]
arm64	2.5.0+dfsg1-2+b1	1.991,7 kB	20.055,0 kB	[dosya listesi]
armel	2.5.0+dfsg1-2+b1	1.949,5 kB	19.075,0 kB	[dosya listesi]
armhf	2.5.0+dfsg1-2+b1	1.914,8 kB	17.637,0 kB	[dosya listesi]
i386	2.5.0+dfsg1-2+b1	2.020,9 kB	19.882,0 kB	[dosya listesi]
m68k (resmi olmayan port)	2.5.0+dfsg1-2+b1	1.922,4 kB	19.195,0 kB	[dosya listesi]
mips64el	2.5.0+dfsg1-2+b1	2.002,5 kB	20.873,0 kB	[dosya listesi]
ppc64 (resmi olmayan port)	2.5.0+dfsg1-2+b1	2.119,6 kB	21.516,0 kB	[dosya listesi]
ppc64el	2.5.0+dfsg1-2+b1	2.119,5 kB	21.080,0 kB	[dosya listesi]
riscv64	2.5.0+dfsg1-2+b2	2.648,4 kB	22.655,0 kB	[dosya listesi]
sh4 (resmi olmayan port)	2.5.0+dfsg1-2+b1	2.217,4 kB	19.219,0 kB	[dosya listesi]