Paket: python3-mdtraj (1.11.0-1 och andra)

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 (>= 2.38)

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 (>= 13.1)

GNU standardbibliotek v3 för C++
dep: python3

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

dep: python3 (<< 3.13) [x32]

dep: python3 (<< 3.14) [ej x32]

dep: python3 (>= 3.12~) [x32]

dep: python3 (>= 3.13~) [ej x32]
dep: python3-astunparse [x32]

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dep: python3-numpy (>= 2.0.0~) [ej x32]
dep: python3-numpy-abi9 [x32]

virtuellt paket som tillhandahålls av python3-numpy
dep: python3-numpy2-abi0 [ej x32]

virtuellt paket som tillhandahålls av python3-numpy

eller python3-numpy-abi9

virtuellt paket som tillhandahålls av python3-numpy
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)
rec: python3-netcdf4

Python 3 interface to the netCDF4 (network Common Data Form) library

sug: python-mdtraj-doc

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

Hämta python3-mdtraj

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
amd64	1.11.0-1	1.040,2 kbyte	4.621,0 kbyte	[filförteckning]
arm64	1.11.0-1	934,3 kbyte	4.337,0 kbyte	[filförteckning]
i386	1.11.0-1	1.008,7 kbyte	4.665,0 kbyte	[filförteckning]
x32 (inofficiell anpassning)	1.10.0-3	941,5 kbyte	3.887,0 kbyte	[filförteckning]