パッケージ: python3-mdanalysis (2.9.0-12)
python3-mdanalysis に関するリンク
Debian の資源:
mdanalysis ソースパッケージをダウンロード:
メンテナ:
外部の資源:
- ホームページ [www.mdanalysis.org]
類似のパッケージ:
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.
その他の python3-mdanalysis 関連パッケージ
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- dep: libc6 (>= 2.14) [amd64]
- GNU C ライブラリ: 共有ライブラリ
以下のパッケージによって提供される仮想パッケージでもあります: libc6-udeb
- dep: libc6 (>= 2.17) [arm64, ppc64el]
- dep: libc6 (>= 2.27) [riscv64]
- dep: libc6 (>= 2.34) [armel, armhf]
- dep: libc6 (>= 2.4) [i386, s390x]
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- dep: libgcc-s1 (>= 3.0) [armel, armhf 以外]
- GCC 共有ライブラリ
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) サポートライブラリ
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- dep: libstdc++6 (>= 11)
- GNU 標準 C++ ライブラリ v3
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- dep: python3
- 対話式の高レベルオブジェクト指向言語 (デフォルト python3 バージョン)
- dep: python3 (<< 3.14)
- dep: python3 (>= 3.13~)
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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-filelock
- platform independent file locking module
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- dep: python3-griddataformats
- Handling volumetric data in Python
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- dep: python3-joblib
- tools to provide lightweight pipelining in Python
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- dep: python3-matplotlib
- Python based plotting system in a style similar to Matlab
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- dep: python3-mda-xdrlib
- Stand-alone XDRLIB module (from cpython 3.10.8)
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- dep: python3-mmtf
- binary encoding of biological structures (Python 3)
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- dep: python3-numpy
- Python library for numerical computations (Python 3)
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- dep: python3-numpy2-abi0
- 以下のパッケージによって提供される仮想パッケージです: python3-numpy
- または python3-numpy-abi9
- パッケージは利用できません
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- dep: python3-packaging
- core utilities for python3 packages
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- dep: python3-scipy
- 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
- 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)
python3-mdanalysis のダウンロード
| アーキテクチャ | パッケージサイズ | インストールサイズ | ファイル |
|---|---|---|---|
| amd64 | 4,104.7 kB | 24,691.0 kB | [ファイル一覧] |
| arm64 | 4,050.5 kB | 24,595.0 kB | [ファイル一覧] |
| armel | 4,002.7 kB | 24,549.0 kB | [ファイル一覧] |
| armhf | 3,969.4 kB | 23,653.0 kB | [ファイル一覧] |
| i386 | 4,071.3 kB | 24,667.0 kB | [ファイル一覧] |
| ppc64el | 4,146.7 kB | 25,235.0 kB | [ファイル一覧] |
| riscv64 | 4,196.8 kB | 23,883.0 kB | [ファイル一覧] |
| s390x | 3,922.6 kB | 24,479.0 kB | [ファイル一覧] |