Paketti: python3-mdtraj (1.9.9-1ubuntu2)

Links for python3-mdtraj

Trisquel-palvelut:

Imuroi lähdekoodipaketti mdtraj:

Ylläpitäjä:

Ubuntu Developers (Mail Archive)

Original Maintainers:

Debichem Team (Mail Archive)
Drew Parsons

External Resources:

Kotisivu [mdtraj.org]

Samankaltaisia paketteja:

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.

Muut pakettiin python3-mdtraj liittyvät paketit

depends

recommends

suggests

dep: libc6 (>= 2.38)

GNU C Library: Shared libraries
myös näennäispaketti, jonka toteuttaa libc6-udeb
dep: libgcc-s1 (>= 3.3.1)

GCC support library
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 (<< 3.13)

dep: python3 (>= 3.12~)
dep: python3-astunparse

AST unparser for Python
dep: python3-networkx

tool to create, manipulate and study complex networks (Python3)
dep: python3-numpy (>= 1:1.25.0)

Fast array facility to the Python language (Python 3)
dep: python3-numpy-abi9

näennäispaketti, jonka toteuttaa 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)

Imuroi python3-mdtraj

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