[ aramo ]
[ Quellcode: mdtraj ]
Paket: python3-mdtraj (1.9.7-3)
Links für python3-mdtraj
Trisquel-Ressourcen:
Quellcode-Paket mdtraj herunterladen:
Betreuer:
Original Maintainers:
- Debichem Team (E-Mail-Archiv)
- Drew Parsons
Externe Ressourcen:
- Homepage [mdtraj.org]
Ähnliche Pakete:
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.
Andere Pakete mit Bezug zu python3-mdtraj
|
|
|
-
- dep: libc6 (>= 2.33)
- GNU C Library: Shared libraries
auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
-
- dep: libgcc-s1 (>= 3.3.1)
- GCC support library
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
-
- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.11)
- dep: python3 (>= 3.10~)
-
- dep: python3-astunparse
- AST unparser for Python
-
- dep: python3-distutils
- distutils package for Python 3.x
-
- dep: python3-networkx
- tool to create, manipulate and study complex networks (Python3)
-
- dep: python3-numpy (>= 1:1.20.0)
- Fast array facility to the Python 3 language
-
- dep: python3-numpy-abi9
- virtuelles Paket, bereitgestellt durch 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)
python3-mdtraj herunterladen
| Architektur | Paketgröße | Größe (installiert) | Dateien |
|---|---|---|---|
| amd64 | 1.108,7 kB | 4497 kB | [Liste der Dateien] |
| arm64 | 1.100,7 kB | 4073 kB | [Liste der Dateien] |