[ aramo ]
[ Zdroj: mdtraj ]
Balík: python3-mdtraj (1.9.7-3)
Odkazy pre python3-mdtraj
Zdroje Trisquel:
Stiahnuť zdrojový balík mdtraj:
Správca:
Original Maintainers:
- Debichem Team (Konferencia)
- Drew Parsons
Externé zdroje:
- Domovská stránka [mdtraj.org]
Podobné balíky:
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.
Ostatné balíky súvisiace s balíkom python3-mdtraj
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- dep: libc6 (>= 2.33)
- GNU C Library: Shared libraries
tiež virtuálny balík poskytovaný balíkom libc6-udeb
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- dep: libgcc-s1 (>= 3.3.1)
- GCC support library
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.11)
- dep: python3 (>= 3.10~)
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- dep: python3-astunparse
- AST unparser for Python
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- dep: python3-distutils
- distutils package for Python 3.x
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- dep: python3-networkx
- tool to create, manipulate and study complex networks (Python3)
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- dep: python3-numpy (>= 1:1.20.0)
- Fast array facility to the Python 3 language
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- dep: python3-numpy-abi9
- virtuálny balík poskytovaný balíkom python3-numpy
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- dep: python3-pandas
- data structures for "relational" or "labeled" data
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- dep: python3-pyparsing
- alternative to creating and executing simple grammars - Python 3.x
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- dep: python3-scipy
- scientific tools for Python 3
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- dep: python3-tables
- hierarchical database for Python3 based on HDF5
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- dep: zlib1g (>= 1:1.2.0)
- compression library - runtime
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- sug: python-mdtraj-doc
- Read, write and analyze MD trajectories in Python (documentation)
Stiahnuť python3-mdtraj
| Architektúra | Veľkosť balíka | Nainštalovaná veľkosť | Súbory |
|---|---|---|---|
| amd64 | 1,108.7 kB | 4497 kB | [zoznam súborov] |
| arm64 | 1,100.7 kB | 4073 kB | [zoznam súborov] |