Pacote: python3-mdtraj (1.10.3-2 e outros)

Links para python3-mdtraj

Rastreador de patch eLxr

Baixe o pacote-fonte mdtraj:

Mantenedores(as):

Fontes externas:

Pagina principal [mdtraj.org]

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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.

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sug: python-mdtraj-doc

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

Download de python3-mdtraj

Baixe para todas as arquiteturas disponíveis
Arquitetura	Versão	Tamanho do pacote	Tamanho instalado	Arquivos
arm64	1.10.3-2+b1	913.8 kB	4,215.0 kB	[lista de arquivos]