Paket: python3-mdtraj (1.10.3-2 ve diğerleri)

python3-mdtraj için bağlantılar

Debian Kaynakları:

mdtraj Kaynak Paketini İndir:

Geliştiriciler:

Dış Kaynaklar:

Ana Sayfa [mdtraj.org]

Benzer paketler:

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

bağımlılıklar

tavsiye edilen

önerilen

enhances

dep: libc6 (>= 2.38)

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 (>= 13.1)

GNU Standard C++ Library v3
dep: python3

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

dep: python3 (<< 3.14)

dep: python3 (>= 3.13~)
dep: python3-netcdf4

Python 3 interface to the netCDF4 (network Common Data Form) library
dep: python3-networkx

tool to create, manipulate and study complex networks (Python3)
dep: python3-numpy

Python library for numerical computations (Python 3)
dep: python3-numpy2-abi0

sanal paketi sağlayan python3-numpy

ya da python3-numpy-abi9

Paket mevcut değil
dep: python3-packaging

core utilities for python3 packages
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

rec: python3-gsd

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

sug: python-mdtraj-doc

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

python3-mdtraj indir

Tüm mevcut mimariler için indir
Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	1.10.3-2+b1	1.012,2 kB	4.475,0 kB	[dosya listesi]
arm64	1.10.3-2+b1	913,8 kB	4.215,0 kB	[dosya listesi]
i386	1.10.3-2+b1	977,6 kB	4.511,0 kB	[dosya listesi]