套件：python3-mdanalysis（2.5.0+dfsg1-2 以及其他的）
python3-mdanalysis 的相關連結
Debian 的資源：
下載原始碼套件 mdanalysis：
- [mdanalysis_2.5.0+dfsg1-2.dsc]
- [mdanalysis_2.5.0+dfsg1.orig.tar.xz]
- [mdanalysis_2.5.0+dfsg1-2.debian.tar.xz]
維護小組：
外部的資源：
- 主頁 [www.mdanalysis.org]
相似套件：
analyse molecular dynamics files and trajectories
MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale, spanning use cases from interactions of drugs with proteins to novel materials. It is widely used in the scientific community and is written by scientists for scientists.
MDAnalysis allows one to read particle-based trajectories (including individual coordinate frames such as biomolecules in the PDB format) and access the atomic coordinates through NumPy arrays. This provides a flexible and relatively fast framework for complex analysis tasks. In addition, powerful atom selection commands are implemented. Trajectories can also be manipulated (for instance, fit to a reference structure) and written out.
It works with a wide range of popular simulation packages including Gromacs, Amber, NAMD, CHARMM, DL_Poly, HooMD, LAMMPS and many others — see the lists of supported trajectory formats and topology formats. MDAnalysis also includes widely used analysis algorithms in the MDAnalysis.analysis module.
The MDAnalysis project uses an open governance model and is fiscally sponsored by NumFOCUS.
This package installs the library for Python 3.
其他與 python3-mdanalysis 有關的套件
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- dep: libc6 (>= 2.4)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libgcc-s1 (>= 3.0)
- GCC 支援函式庫
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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 (<< 3.13)
- dep: python3 (>= 3.11~)
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- dep: python3-biopython (>= 1.80)
- Python3 library for bioinformatics
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- dep: python3-duecredit
- Publications (and donations) tracer
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- dep: python3-fasteners
- provides useful locks - Python 3.x
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- dep: python3-griddataformats (>= 0.4.0)
- Handling volumetric data in Python
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- dep: python3-gsd (>= 3.0.1~)
- native file format for HOOMD-blue (Python 3 module)
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- dep: python3-joblib (>= 0.12)
- tools to provide lightweight pipelining in Python
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- dep: python3-matplotlib (>= 1.5.1)
- Python based plotting system in a style similar to Matlab (Python 3)
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- dep: python3-mmtf (>= 1.0.0)
- binary encoding of biological structures (Python 3)
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- dep: python3-networkx (>= 2.0)
- tool to create, manipulate and study complex networks (Python3)
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- dep: python3-numpy (>= 1:1.22.0)
- Fast array facility to the Python language (Python 3)
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- dep: python3-numpy-abi9
- 本虛擬套件由這些套件填實： python3-numpy
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- dep: python3-packaging
- core utilities for python3 packages
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- dep: python3-scipy (>= 1.5.0)
- scientific tools for Python 3
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- dep: python3-threadpoolctl
- Python helpers for common threading libraries (BLAS, OpenMP)
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- dep: python3-tqdm (>= 4.43.0)
- fast, extensible progress bar for Python 3 and CLI tool
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- rec: python3-sklearn
- Python modules for machine learning and data mining - Python 3
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- sug: python-mdanalysis-doc
- analyse molecular dynamics files and trajectories ( documentation)