Paket: python3-mdtraj (1.9.7-6)

Länkar för python3-mdtraj

Debianresurser:

Hämta källkodspaketet mdtraj:

Ansvariga:

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

Externa resurser:

Hemsida [mdtraj.org]

Liknande paket:

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.

Andra paket besläktade med python3-mdtraj

beror

rekommenderar

föreslår

enhances

dep: libc6 (>= 2.33)

GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6-udeb
dep: libgcc-s1 (>= 3.0) [ej i386]

GCC stödbibliotek

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

virtuellt paket som tillhandahålls av 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)

Kompressionsbibliotek - körtidspaket

sug: python-mdtraj-doc

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

Hämta python3-mdtraj

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Paketstorlek	Installerad storlek	Filer
amd64	1.031,9 kbyte	4.459,0 kbyte	[filförteckning]
arm64	941,3 kbyte	4.457,0 kbyte	[filförteckning]
i386	1.035,3 kbyte	4.639,0 kbyte	[filförteckning]