Paket: python3-mdtraj (1.9.7-6)

[ Kaynak: mdtraj  ]

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.

python3-mdtraj ile İlgili Diğer Paketler

• dep: libc6 (>= 2.33)

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

• dep: libgcc-s1 (>= 3.0) [i386 değil]

  GCC support library

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

• 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-astunparse

  AST unparser for Python

• dep: python3-distutils

  distutils package for Python 3.x

• dep: python3-networkx

  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

  sanal paketi sağlayan python3-numpy

• 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

• dep: zlib1g (>= 1:1.2.0)

  compression library - runtime

• sug: python-mdtraj-doc

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

python3-mdtraj indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	1.031,9 kB	4.459,0 kB	[dosya listesi]
arm64	941,3 kB	4.457,0 kB	[dosya listesi]
i386	1.035,3 kB	4.639,0 kB	[dosya listesi]